1. Chemical context
For immobilization of the radionuclides in the high-level waste (HLW) raffinate stream following aqueous reprocessing of used nuclear fuel, glass-ceramic waste forms are being developed as an alternative to borosilicate glass (Crum et al., 2012, 2014, 2016). As a result of the chemical diversity in the HLW raffinate stream, several crystalline phases including powellite [(AE)MoO4], rare-earth borosilicate [(RE)3BSi2O10], cerianite (ZrxCe1-xO2), and oxyapatite [(AE)2(RE)8(SiO4)6O2], where AE and RE are alkaline earth and rare-earth metals, respectively, crystallize from the glass matrix upon slow cooling inside the waste canister during the waste form fabrication process (Crum et al., 2012, 2014, 2016). Understanding the crystal chemistry and formation of these phases is important in the development of the glass-ceramic waste forms. In the actual waste form, each crystalline phase containing RE elements contains a distribution matching that within the waste stream. However, for characterization purposes, simplified versions of these phases were synthesized so that the individual contributions towards the chemical durability of the overall waste form could be evaluated (Neeway et al., 2019). In this work, we report the synthesis method and crystal structures of oxyapatites, Ca2RE8(SiO4)6O2 (RE = La, Nd, Sm, Eu, Yb) and NaLa9(SiO4)6O2. Additional information on the synthesis can be found in our previous paper (Peterson et al., 2018). The crystal structures of Ca2RE8(SiO4)6O2 (RE = La, Ce, Nd; Schroeder & Mathew, 1978; Fahey et al., 1985; Massoni et al., 2018) were studied in detail previously as in Inorganic Crystal Structure Database (ICSD) entries 5268, 92041, and 62174 for La, Ce, and Nd, respectively, but the crystal structures of Ca2RE8(SiO4)6O2 (RE = Sm, Eu, Yb) and NaLa9(SiO4)6O2 have never been reported in detail before. The oxyapatites with La and Nd in this study are re-refined structures and are reported to compare with previously reported structures. We compare the general structural parameters of these isostructural oxyapatites with different RE cations.
2. Structural commentary
The general formula of silicate oxyapatites containing rare-earth metals along with alkalis or alkaline earths (without OH−) is A1+xRE9–x(SiO4)6O2 [0 ≤ x ≤ 1; A = Li (Setoguchi, 1990; Ito, 1968), Na (Setoguchi, 1990; Ito, 1968), Ca (Fahey et al., 1985; Lambert et al., 2006; Ito, 1968), Ba (Lambert et al., 2006; Ito, 1968), Sr (Lambert et al., 2006; Ito, 1968; Latshaw et al., 2016), Mg (Ito, 1968), Mn (Ito, 1968), Pb (Ito, 1968); Ln = La (Lambert et al., 2006; Ito, 1968), Ce (Massoni et al., 2018), Pr (Leu et al., 2011; Sakakura et al., 2010), Nd (Fahey et al., 1985; Setoguchi, 1990; Ito, 1968; Latshaw et al., 2016), Sm (Ito, 1968), Eu (Setoguchi, 1990), Gd (Ito, 1968), Tb (Leu et al., 2011), Dy (Ito, 1968), Er (Ito, 1968), Tm (Leu et al., 2011), Lu (Ito, 1968), Yb (Latshaw et al., 2016), and Y (Ito, 1968)]. In this work, oxyaptites with different A and RE are abbreviated as A-RE [e.g. Ca-La denotes Ca2La8(SiO4)6O2]. These apatites generally crystallize in space group P63/m; however, P63 (Lambert et al., 2006) and P (Sansom et al., 2004) space-group symmetries have been reported as well.
In a study by Lambert et al. (2006), the structural models of La9.33(SiO4)6O2, La9Ba(SiO4)6O2+δ, La9Sr(SiO4)6O2+δ, and La9Ca(SiO4)6O2+δ were refined against neutron powder diffraction data within the P63/m, P63, and P space groups, and the best results were obtained using the P63 symmetry. They found that a symmetry difference by m[001] between P63/m and P63 allows two independent sites for lanthanum for P63 symmetry, and their occupancies are uncorrelated. However, they mention that the framework shows a pseudo-symmetry to P63/m as the symmetry breaking by m[001] is very small. In the study by Sansom et al. (2004), the neutron powder diffraction data of Ga-doped La9.67Si5GaO26 and La10Si4Ga2O26 were fit within the P63/m, P63, and P space groups, and both P and P63 symmetries resulted in better fits than P63/m for the cation-deficient La9.67Si5GaO26 compound, whereas all three space groups gave similar fitting results for the stoichiometric La10Si4Ga2O26 compound. They chose the P63/m space group for the La10Si4Ga2O26 compound as it is the highest symmetry space group and concluded that lowering of the space group from P63/m to P63 allows for variation in occupancy for the lanthanum site(s) as the La1 site becomes two with P63 symmetry, whereas there is only one site for La1 in P63/m; this resulted in a better fit for cation-deficient La9.67Si5GaO26 in P63 symmetry. However, an a posteriori symmetry analysis using SUPERFLIP (Palatinus & van der Lee, 2008), shows that oxyapatites in this study crystallize in the P63/m space group.
The cations in the P63/m space group occupy Wyckoff positions of 4f and 6h. The 4f site is occupied by RE and A atoms coordinated by nine oxygen atoms whereas the 6h site is mostly occupied by RE coordinated by seven oxygen atoms (Fig. 1), and the isolated [SiO4]4− tetrahedra are linked by the cations (Fig. 2). Detailed atomic coordinates, bond lengths, and angles are given in the supporting information.
| Figure 1 (a) Seven-coordinated and (b) nine-coordinated oxygen atoms around RE/AE cations for Ca2RE8(SiO4)6O2. |
| Figure 2 Crystal structure of Ca2RE8(SiO4)6O2. |
The unit-cell parameters, unit-cell volumes, and densities of the synthesized Ca2RE8(SiO4)6O2 (RE = La, Nd, Sm, Eu, Yb) compounds were well fit to the trendlines calculated from the previously reported values of RE oxyapatites (Fig. 3), and details of unit-cell parameters, cell volumes, and densities of Ca2RE8(SiO4)6O2 from the literature and this work are provided in Table 1. The unit-cell parameters and unit-cell volumes increase linearly with increases in the ionic crystal radii (Shannon, 1976) of nine-coordinated RE3+ cations whereas the density decreases non-linearly with the ionic crystal radii of larger nine-coordinated RE3+ cations. The parameters of Ca-Yb oxyapatite are reported for the first time, and they match closely to predicted values shown by trendlines based on the literature data.
Chemistry | a (Å) | c (Å) | Volume (Å3) | Density (Mg m−3) | Reference | Ca2La8(SiO4)6O2 | 9.6556 | 7.1532 | 578 | 5.105 | Current study | Ca2La8(SiO4)6O2 | 9.651 | 7.151 | 577 | 5.112 | PDF 00–029-0337 | Ca2La8(SiO4)6O2 | 9.651 | 7.155 | 577 | 5.110 | (Schroeder & Mathew, 1978) | Ca2La8(SiO4)6O2 | 9.63 | 7.12 | 571 | 5.165 | (Ito, 1968) | Ca2Ce8(SiO4)6O2 | 9.5991 | 7.0928 | 566 | 5.239 | (Massoni et al., 2018) | Ca2Pr8(SiO4)6O2 | 9.565 | 7.060 | 559 | 5.319 | PDF 00–029-0362 | Ca2Nd8(SiO4)6O2 | 9.5241 | 7.0221 | 552 | 5.474 | Current study | Ca2Nd8(SiO4)6O2 | 9.529 | 7.022 | 552 | 5.466 | PDF 00–028-0228 | Ca2Nd8(SiO4)6O2 | 9.5291 | 7.0222 | 552 | 5.467 | (Fahey et al., 1985) | Ca2Nd8(SiO4)6O2 | 9.52 | 7.00 | 549 | 5.501 | (Ito, 1968) | Ca2Sm8(SiO4)6O2 | 9.4669 | 6.9481 | 539 | 5.749 | Current study | Ca2Sm8(SiO4)6O2 | 9.466 | 6.949 | 539 | 5.752 | PDF 00–029-0365 | Ca2Sm8(SiO4)6O2 | 9.44 | 6.93 | 535 | 5.797 | (Ito, 1968) | Ca2Eu8(SiO4)6O2 | 9.4408 | 6.9180 | 534 | 5.846 | Current study | Ca2Eu8(SiO4)6O2 | 9.440 | 6.918 | 534 | 5.848 | PDF 00–029-0320 | Ca2Gd8(SiO4)6O2 | 9.39 | 6.87 | 525 | 6.081 | (Ito, 1968) | Ca2Gd8(SiO4)6O2 | 9.421 | 6.888 | 529 | 6.030 | PDF 00–028-0212 | Ca2Dy8(SiO4)6O2 | 9.37 | 6.81 | 518 | 6.298 | (Ito, 1968) | Ca2Er8(SiO4)6O2 | 9.33 | 6.75 | 509 | 6.534 | (Ito, 1968) | Ca2Yb8(SiO4)6O2 | 9.2974 | 6.6975 | 501 | 6.785 | Current study | Ca2Lu8(SiO4)6O2 | 9.28 | 6.68 | 498 | 6.884 | (Ito, 1968) | | |
| Figure 3 (a, b) Unit-cell parameters, (c) volumes, and (d) densities of synthesized oxyapatites compared to literature values, relative to ionic radii of nine-coordinated RE3+ cations. Details are provided in Table 1. |
3. Synthesis and crystallization
The following chemicals were used as-received: Ca(NO3)2·4H2O (Sigma–Aldrich, ≥99%), NaNO3 (Sigma–Aldrich, 99.995%), tetraethyl orthosilicate [TEOS; Si(OC2H5)4; Sigma–Aldrich, ≥99%], La(NO3)3·6H2O (Noah Technologies, 99.9%), Nd(NO3)3·6H2O (Alfa Aesar, 99.9%), Sm(NO3)3·6H2O (Alfa Aesar, 99.9%), Eu(NO3)3·6H2O (Noah Technologies, 99.9%), Yb(NO3)3·6H2O (Alfa Aesar, 99.9%), and glacial acetic acid (CH3COOH; Sigma–Aldrich, 99.7%)]. For the synthesis of Ca-Nd oxyapatite, 0.06 moles of Ca(NO3)2·4H2O, 0.24 moles of Nd(NO3)3·6H2O, 80 mL of ethanol, and 80 mL of glacial acetic acid were stirred in a Pyrex beaker until the solution became clear, and then 40 mL of TEOS was added and mixed for 24 h. After 24 h of mixing, the solution was dried at 353 K for 6 d, and the dried product was heat treated at 473 K for 1 h and milled, calcined at 873 K for 4 h, then at 1273 K for 1 h and milled, and pressed into 2-cm diameter pellets using a cold isostatic press at 110 MPa. Finally, the pellets were fired at 1823 K for 8 h, and pure Ca-Nd oxyapatite was crystallized. More details of synthesis are provided elsewhere (Peterson et al., 2018). For all other oxyapatites, the same procedures were used with 0.2× quantities, and for Na-La oxyapatite, the molar ratio of Na:La in the precursors was 1:9.
The P-XRD analysis was performed on the synthesized oxyapatites using a Bruker D8 Advance diffractometer (see Table 2 for collection parameters). The P-XRD results showed the samples to be pure oxyapatites except for the Ca-Yb compound, which also contained some Yb2O3 and Yb2(SiO4)O phases. The elemental compositions of each oxyapatite sample were measured with a JEOL 8530 Hyperprobe EPMA. Each sample was analyzed at five to eight different locations and the averages and standard deviations of these measurements are given in Table 3, on an elemental mass% basis. Because of the inaccuracy of measuring oxygen directly, it was calculated indirectly, based on target stoichiometry with the cations, using direct measurements of the cations (i.e., AE, A, RE, and Si). Table 3 also gives the molar elemental ratios of each element normalized to total atoms in the oxyapatite structure per unit cell = 42 atoms. Fig. 4 shows that the EPMA measurements confirm that samples were all on target to the batched compositions.
| Ca-La | Ca-Nd | Ca-Sm | Crystal data | Chemical formula | Ca2La8(SiO4)6O2 | Ca2Nd8(SiO4)6O2 | Ca2Sm8(SiO4)6O2 | Mr | 1775.7 | 1818.4 | 1867.3 | Crystal system, space group | Hexagonal, P63/m | Hexagonal, P63/m | Hexagonal, P63/m | Temperature (K) | 295 | 295 | 295 | a, c (Å) | 9.65568 (7), 7.15323 (6) | 9.52414 (5), 7.02213 (5) | 9.46696 (6), 6.94810 (5) | V (Å3) | 577.56 (1) | 551.63 (1) | 539.28 (1) | Z | 1 | 1 | 1 | Radiation type | Cu Kα, λ = 1.54188 Å | Cu Kα, λ = 1.54188 Å | Cu Kα, λ = 1.54188 Å | Specimen shape, size (mm) | Flat sheet, 25 × 25 | Flat sheet, 25 × 25 | Flat sheet, 25 × 25 | | Data collection | Diffractometer | Bruker D8 Advance | Bruker D8 Advance | Bruker D8 Advance | Specimen mounting | Packed powder pellet | Packed powder pellet | Packed powder pellet | Data collection mode | Reflection | Reflection | Reflection | Scan method | Step | Step | Step | 2θ values (°) | 2θmin = 10 2θmax = 70 2θstep = 0.009 | 2θmin = 10 2θmax = 70 2θstep = 0.009 | 2θmin = 10 2θmax = 70 2θstep = 0.009 | | Refinement | R factors and goodness of fit | Rp = 0.05, Rwp = 0.07, Rexp = 0.03, RBragg = 0.03, χ2 = 5.617 | Rp = 0.05, Rwp = 0.06, Rexp = 0.03, RBragg = 0.03, χ2 = 4.452 | Rp = 0.04, Rwp = 0.06, Rexp = 0.03, RBragg = 0.04, χ2 = 3.386 | No. of parameters | 24 | 26 | 26 | | | Ca-Eu | Ca-Yb | Na-La | Crystal data | Chemical formula | Ca2Eu8(SiO4)6O2 | Ca2Yb8(SiO4)6O2 | NaLa9(SiO4)6O2 | Mr | 1880.1 | 2048.7 | 1857.63 | Crystal system, space group | Hexagonal, P63/m | Hexagonal, P63/m | Hexagonal, P63/m | Temperature (K) | 295 | 295 | 295 | a, c (Å) | 9.44082 (7), 6.91804 (6) | 9.29743 (7), 6.69748 (6) | 9.69061 (7), 7.18567 (6) | V (Å3) | 533.99 (1) | 501.38 (1) | 584.39 (1) | Z | 1 | 1 | 1 | Radiation type | Cu Kα, λ = 1.54188 Å | Cu Kα, λ = 1.54188 Å | Cu Kα, λ = 1.54188 Å | Specimen shape, size (mm) | Flat sheet, 25 × 25 | Flat sheet, 25 × 25 | Flat sheet, 25 × 25 | | Data collection | Diffractometer | Bruker D8 Advance | Bruker D8 Advance | Bruker D8 Advance | Specimen mounting | Packed powder pellet | Packed powder pellet | Packed powder pellet | Data collection mode | Reflection | Reflection | Reflection | Scan method | Step | Step | Step | 2θ values (°) | 2θmin = 10 2θmax = 70 2θstep = 0.009 | 2θmin = 10 2θmax = 70 2θstep = 0.009 | 2θmin = 10 2θmax = 70 2θstep = 0.009 | | Refinement | R factors and goodness of fit | Rp = 0.04, Rwp = 0.06, Rexp = 0.03, RBragg = 0.03, χ2 = 3.842 | Rp = 0.05, Rwp = 0.07, Rexp = 0.02, RBragg = 0.04, χ2 = 14.062 | Rp = 0.04, Rwp = 0.06, Rexp = 0.03, RBragg = 0.05, χ2 = 6.150 | No. of parameters | 26 | 36 | 29 | Computer programs: XRD Commander (Kienle & Jacob, 2003), TOPAS (Bruker, 2009), VESTA (Momma & Izumi, 2011) and publCIF (Westrip, 2010). | |
Sample ID | Mean (std devn) | A | RE | Si | O (calc. stoch.) | Total | Ca2La8Si6O26 | Mass % | 4.74 (0.18) | 62.45 (0.98) | 9.48 (0.21) | 23.48 (1/3) | 100.15 (1.29) | | Atoms | 2.09 (0.10) | 7.96 (0.08 | 5.97 (0.05) | 25.98 (0.03) | 42 | Ca2Nd8Si6O26 | Mass % | 4.47 (0.04) | 63.34 (1/4) | 9.44 (0.05) | 23.08 (0.06) | 100.33 (0.28) | | Atoms | 2.01 (0.02) | 7.92 (0.03) | 6.06 (0.02) | 26.01 (0.01) | 42 | Ca2Sm8Si6O26 | Mass % | 4.42 (0.03) | 65.72 (0.34) | 9.51 (0.05) | 23.09 (0.05) | 102.75 (0.34) | | Atoms | 1.99 (0.01) | 7.88 (0.04) | 6.11 (0.03) | 26.03 (0.01) | 42 | Ca2Eu8Si6O26 | Mass % | 4.38 (0.09) | 63.31 (1.09) | 8.35 (0.03) | 21.26 (0.12) | 97.29 (1.11) | | Atoms | 2.13 (0.06) | 8.13 (0.10) | 5.80 (0.04) | 25.93 (0.004) | 42 | Ca2Yb8Si6O26 | Mass % | 4.10 (0.10) | 67.01 (1.15) | 9.14 (0.17) | 21.35 (0.29) | 101.59 (1.45) | | Atoms | 2.00 (0.05) | 7.57 (0.08) | 6.36 (0.07) | 26.07 (0.02) | 42 | NaLa9Si6O26 | Mass % | 1.08 (0.08) | 68.46 (0.41) | 8.73 (0.16) | 22.15 (0.15) | 100.43 (0.37) | | Atoms | 0.88 (0.07) | 9.26 (0.08) | 5.84 (0.08) | 26.02 (0.04) | 42 | | |
| Figure 4 Comparison of the number of atoms per unit cell between stoichiometric and measured A-RE oxyapatites. Note that error bars are shown for measured values but are too small to see and, in most cases, are smaller than the size of the datapoints. |
4. Refinement
Crystal data, data collection, and structure refinement details are summarized in Table 2. The Rietveld plots are shown in Fig. 5. The structures of Ca2RE8(SiO4)6O2 (RE = La, Nd, Sm, Eu, Yb) and NaLa9(SiO4)6O2 were refined using the Rietveld method with TOPAS (version 4.2; Bruker, 2009) using the reference patterns with similar XRD profiles and chemistries as starting models. XRD patterns of the synthesized oxyapatites were similar with slight differences in peak positions and relative intensities (Fig. 5), and the reference patterns of Ca2Nd8(SiO4)6O2 (ICSD 62174) and NaNd9(SiO4)6O2 (ICSD 187846) were used as starting models for Ca2RE8(SiO4)6O2 (RE = La, Nd, Sm, Eu, Yb) and NaLa9(SiO4)6O2, respectively. The Nd atoms in ICSD 62174 and 187846 were replaced with appropriate RE atoms, and the atomic positions of RE, Si, O, Ca, and Na atoms were refined. The occupancies of Na, Ca, and RE atoms at the 4f and 6h sites were not refined (values were left unchanged from the original CIF); large negative and positive densities on the cations suggest that our fixed occupancy factors are not completely correct; however, refining the occupancy factors resulted in smaller RE:AE ratio (2.4–3) or La:Na (8.4) with a slight change in Rwp (0.014–0.203%), and our EPMA analysis (Fig. 3) showed that the ratio should be 4 for RE:AE and 9 for Na-La. Therefore, we fixed the occupancy factors of the cations during the refinements. The displacement parameters were not refined and fixed to 1 Å2 to avoid large standard uncertainty values when refined. In addition, parameters for unit cell, scale factors, microstructure effects, and preferred orientation with spherical harmonic function (Järvinen, 1993) were refined, and the background was fitted with a Chebychev polynomial.
| Figure 5 Measured, calculated, and difference XRD profiles of (a) NaLa9(SiO4)6O2, (b) Ca2La8(SiO4)6O2, (c) Ca2Nd8(SiO4)6O2, (d) Ca2Sm8(SiO4)6O2, (e) Ca2Eu8(SiO4)6O2, and (f) Ca2Yb8(SiO4)6O2. |
Supporting information
For all structures, data collection: XRD Commander (Kienle & Jacob, 2003); cell refinement: TOPAS (Bruker, 2009); program(s) used to solve structure: TOPAS (Bruker, 2009); program(s) used to refine structure: TOPAS (Bruker, 2009); molecular graphics: VESTA (Momma & Izumi, 2011); software used to prepare material for publication: publCIF (Westrip, 2010).
Calcium lanthanum silicate oxyapatite (Ca-La)
top Crystal data top Ca2La8(SiO4)6O2 | Z = 1 |
Mr = 1775.7 | Dx = 5.105 Mg m−3 |
Hexagonal, P63/m | Cu Kα radiation, λ = 1.54188 Å |
a = 9.65568 (7) Å | T = 295 K |
c = 7.15323 (6) Å | white |
V = 577.56 (1) Å3 | flat_sheet, 25 × 25 mm |
Data collection top Bruker D8 Advance diffractometer | Data collection mode: reflection |
Radiation source: sealed X-ray tube | Scan method: step |
Specimen mounting: packed powder pellet | 2θmin = 10°, 2θmax = 70°, 2θstep = 0.009° |
Refinement top Rp = 0.05 | Profile function: pseudo-Voigt |
Rwp = 0.07 | 24 parameters |
Rexp = 0.03 | Weighting scheme based on measured s.u.'s |
RBragg = 0.03 | (Δ/σ)max < 0.001 |
6994 data points | Background function: Chebychev |
Special details top Refinement. Beq were fixed as 1Å squared during refinement as they result high standard uncertainties |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | Occ. (<1) |
Ca1 | 0.333333 | 0.666667 | −0.0033 (4) | 0.0127* | 0.448 |
La1 | 0.333333 | 0.666667 | −0.0033 (4) | 0.0127* | 0.552 |
Ca2 | 0.23167 (12) | −0.01384 (16) | 0.25 | 0.0127* | 0.035 |
La2 | 0.23167 (12) | −0.01384 (16) | 0.25 | 0.0127* | 0.965 |
Si1 | 0.4033 (6) | 0.3747 (7) | 0.25 | 0.0127* | |
O1 | 0.3275 (10) | 0.4848 (10) | 0.25 | 0.0127* | |
O2 | 0.5952 (12) | 0.4633 (10) | 0.25 | 0.0127* | |
O3 | 0.3415 (6) | 0.2571 (6) | 0.0722 (7) | 0.0127* | |
O4 | 0 | 0 | 0.25 | 0.0127* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
? | ? | ? | ? | ? | ? | ? |
Geometric parameters (Å, º) top Ca1—Ca1i | 3.529 (4) | La1—O2vii | 2.456 (8) |
Ca1—Ca1ii | 3.624 (4) | La1—O2viii | 2.456 (10) |
Ca1—La1 | 0 | Ca2—Ca2iv | 3.995 (3) |
Ca1—La1i | 3.529 (4) | Ca2—Ca2xi | 3.995 (2) |
Ca1—La1ii | 3.624 (4) | Ca2—La2 | 0 |
Ca1—Ca2iii | 4.098 (2) | Ca2—La2iv | 3.995 (3) |
Ca1—Ca2iv | 4.0978 (18) | Ca2—La2xi | 3.995 (2) |
Ca1—Ca2v | 4.098 (2) | Ca2—Si1 | 3.256 (6) |
Ca1—Si1vi | 3.280 (6) | Ca2—O4 | 2.3067 (14) |
Ca1—Si1vii | 3.280 (8) | La2—O2xii | 2.552 (9) |
Ca1—Si1viii | 3.280 (5) | La2—O3xiii | 2.450 (6) |
La1—La1i | 3.529 (4) | La2—O3xiv | 2.450 (6) |
La1—La1ii | 3.624 (4) | La2—O4 | 2.3067 (14) |
La1—O1 | 2.504 (8) | Si1—O1 | 1.563 (14) |
La1—O1ix | 2.504 (6) | Si1—O2 | 1.606 (12) |
La1—O1x | 2.504 (10) | Si1—O3 | 1.608 (6) |
La1—O2vi | 2.456 (9) | Si1—O3ii | 1.608 (6) |
| | | |
Ca1i—Ca1—Ca1ii | 180 | O2vi—La1—O2vii | 74.1 (4) |
Ca1i—Ca1—La1 | 0 | O2vi—La1—O2viii | 74.1 (4) |
Ca1i—Ca1—La1i | 0 | O2vii—La1—O2viii | 74.1 (3) |
Ca1i—Ca1—La1ii | 180 | Ca1xv—Ca2—Ca1xvi | 52.48 (5) |
Ca1i—Ca1—Ca2iii | 116.24 (4) | Ca1xv—Ca2—Ca2iv | 150.60 (4) |
Ca1i—Ca1—Ca2iv | 116.24 (4) | Ca1xv—Ca2—Ca2xi | 104.54 (3) |
Ca1i—Ca1—Ca2v | 116.24 (4) | Ca1xv—Ca2—La2 | 0 |
Ca1i—Ca1—Si1vi | 57.45 (8) | Ca1xv—Ca2—La2iv | 150.60 (4) |
Ca1i—Ca1—Si1vii | 57.45 (10) | Ca1xv—Ca2—La2xi | 104.54 (3) |
Ca1i—Ca1—Si1viii | 57.45 (7) | Ca1xv—Ca2—Si1 | 133.78 (10) |
Ca1ii—Ca1—La1 | 0 | Ca1xv—Ca2—O4 | 130.38 (3) |
Ca1ii—Ca1—La1i | 180 | Ca1xvi—Ca2—Ca2iv | 150.60 (4) |
Ca1ii—Ca1—La1ii | 0 | Ca1xvi—Ca2—Ca2xi | 104.54 (3) |
Ca1ii—Ca1—Ca2iii | 63.76 (4) | Ca1xvi—Ca2—La2 | 0 |
Ca1ii—Ca1—Ca2iv | 63.76 (4) | Ca1xvi—Ca2—La2iv | 150.60 (4) |
Ca1ii—Ca1—Ca2v | 63.76 (4) | Ca1xvi—Ca2—La2xi | 104.54 (3) |
Ca1ii—Ca1—Si1vi | 122.55 (8) | Ca1xvi—Ca2—Si1 | 133.78 (10) |
Ca1ii—Ca1—Si1vii | 122.55 (10) | Ca1xvi—Ca2—O4 | 130.38 (3) |
Ca1ii—Ca1—Si1viii | 122.55 (7) | Ca2iv—Ca2—Ca2xi | 60.00 (3) |
La1—Ca1—La1i | 0 | Ca2iv—Ca2—La2 | 0 |
La1—Ca1—La1ii | 0 | Ca2iv—Ca2—La2iv | 0 |
La1—Ca1—Ca2iii | 0 | Ca2iv—Ca2—La2xi | 60.00 (3) |
La1—Ca1—Ca2iv | 0 | Ca2iv—Ca2—Si1 | 53.27 (12) |
La1—Ca1—Ca2v | 0 | Ca2iv—Ca2—O4 | 30.00 (3) |
La1—Ca1—Si1vi | 0 | Ca2xi—Ca2—La2 | 0 |
La1—Ca1—Si1vii | 0 | Ca2xi—Ca2—La2iv | 60.00 (3) |
La1—Ca1—Si1viii | 0 | Ca2xi—Ca2—La2xi | 0 |
La1i—Ca1—La1ii | 180 | Ca2xi—Ca2—Si1 | 113.27 (12) |
La1i—Ca1—Ca2iii | 116.24 (4) | Ca2xi—Ca2—O4 | 30.00 (2) |
La1i—Ca1—Ca2iv | 116.24 (4) | La2—Ca2—La2iv | 0 |
La1i—Ca1—Ca2v | 116.24 (4) | La2—Ca2—La2xi | 0 |
La1i—Ca1—Si1vi | 57.45 (8) | La2—Ca2—Si1 | 0 |
La1i—Ca1—Si1vii | 57.45 (10) | La2—Ca2—O4 | 0 |
La1i—Ca1—Si1viii | 57.45 (7) | La2iv—Ca2—La2xi | 60.00 (3) |
La1ii—Ca1—Ca2iii | 63.76 (4) | La2iv—Ca2—Si1 | 53.27 (12) |
La1ii—Ca1—Ca2iv | 63.76 (4) | La2iv—Ca2—O4 | 30.00 (3) |
La1ii—Ca1—Ca2v | 63.76 (4) | La2xi—Ca2—Si1 | 113.27 (12) |
La1ii—Ca1—Si1vi | 122.55 (8) | La2xi—Ca2—O4 | 30.00 (2) |
La1ii—Ca1—Si1vii | 122.55 (10) | Si1—Ca2—O4 | 83.27 (12) |
La1ii—Ca1—Si1viii | 122.55 (7) | Ca2—La2—Ca2iv | 0 |
Ca2iii—Ca1—Ca2iv | 101.93 (5) | Ca2—La2—Ca2xi | 0 |
Ca2iii—Ca1—Ca2v | 101.93 (5) | Ca2—La2—O2xii | 0 |
Ca2iii—Ca1—Si1vi | 145.27 (10) | Ca2—La2—O3xiii | 0 |
Ca2iii—Ca1—Si1vii | 61.97 (11) | Ca2—La2—O3xiv | 0 |
Ca2iii—Ca1—Si1viii | 111.22 (16) | Ca2—La2—O4 | 0 |
Ca2iv—Ca1—Ca2v | 101.93 (5) | Ca2iv—La2—Ca2xi | 60.00 (3) |
Ca2iv—Ca1—Si1vi | 111.22 (11) | Ca2iv—La2—O2xii | 118.6 (4) |
Ca2iv—Ca1—Si1vii | 145.27 (11) | Ca2iv—La2—O3xiii | 109.4 (2) |
Ca2iv—Ca1—Si1viii | 61.97 (5) | Ca2iv—La2—O3xiv | 109.4 (2) |
Ca2v—Ca1—Si1vi | 61.97 (6) | Ca2iv—La2—O4 | 30.00 (3) |
Ca2v—Ca1—Si1vii | 111.22 (10) | Ca2xi—La2—O2xii | 178.6 (4) |
Ca2v—Ca1—Si1viii | 145.27 (16) | Ca2xi—La2—O3xiii | 95.92 (12) |
Si1vi—Ca1—Si1vii | 93.77 (17) | Ca2xi—La2—O3xiv | 95.92 (12) |
Si1vi—Ca1—Si1viii | 93.77 (16) | Ca2xi—La2—O4 | 30.00 (2) |
Si1vii—Ca1—Si1viii | 93.77 (14) | O2xii—La2—O3xiii | 84.54 (17) |
Ca1—La1—Ca1i | 0 | O2xii—La2—O3xiv | 84.54 (17) |
Ca1—La1—Ca1ii | 0 | O2xii—La2—O4 | 148.6 (4) |
Ca1—La1—La1i | 0 | O3xiii—La2—O3xiv | 140.3 (3) |
Ca1—La1—La1ii | 0 | O3xiii—La2—O4 | 104.54 (16) |
Ca1—La1—O1 | 0 | O3xiv—La2—O4 | 104.54 (16) |
Ca1—La1—O1ix | 0 | Ca1xvii—Si1—Ca1xviii | 65.10 (15) |
Ca1—La1—O1x | 0 | Ca1xvii—Si1—Ca2 | 80.71 (16) |
Ca1—La1—O2vi | 0 | Ca1xvii—Si1—O1 | 137.6 (2) |
Ca1—La1—O2vii | 0 | Ca1xvii—Si1—O2 | 46.1 (3) |
Ca1—La1—O2viii | 0 | Ca1xvii—Si1—O3 | 112.1 (4) |
Ca1i—La1—Ca1ii | 180 | Ca1xvii—Si1—O3ii | 61.6 (3) |
Ca1i—La1—La1i | 0 | Ca1xviii—Si1—Ca2 | 80.71 (16) |
Ca1i—La1—La1ii | 180 | Ca1xviii—Si1—O1 | 137.6 (2) |
Ca1i—La1—O1 | 136.35 (18) | Ca1xviii—Si1—O2 | 46.1 (3) |
Ca1i—La1—O1ix | 136.35 (14) | Ca1xviii—Si1—O3 | 61.6 (3) |
Ca1i—La1—O1x | 136.3 (2) | Ca1xviii—Si1—O3ii | 112.1 (4) |
Ca1i—La1—O2vi | 44.1 (2) | Ca2—Si1—O1 | 129.9 (3) |
Ca1i—La1—O2vii | 44.1 (2) | Ca2—Si1—O2 | 113.6 (5) |
Ca1i—La1—O2viii | 44.1 (2) | Ca2—Si1—O3 | 52.5 (3) |
Ca1ii—La1—La1i | 180 | Ca2—Si1—O3ii | 52.5 (3) |
Ca1ii—La1—La1ii | 0 | O1—Si1—O2 | 116.5 (6) |
Ca1ii—La1—O1 | 43.65 (18) | O1—Si1—O3 | 110.2 (4) |
Ca1ii—La1—O1ix | 43.65 (14) | O1—Si1—O3ii | 110.2 (4) |
Ca1ii—La1—O1x | 43.7 (2) | O2—Si1—O3 | 107.3 (4) |
Ca1ii—La1—O2vi | 135.9 (2) | O2—Si1—O3ii | 107.3 (4) |
Ca1ii—La1—O2vii | 135.9 (2) | O3—Si1—O3ii | 104.6 (4) |
Ca1ii—La1—O2viii | 135.9 (2) | La1—O1—La1ii | 92.7 (4) |
La1i—La1—La1ii | 180 | La1—O1—Si1 | 128.5 (3) |
La1i—La1—O1 | 136.35 (18) | La1ii—O1—Si1 | 128.5 (3) |
La1i—La1—O1ix | 136.35 (14) | La1xvii—O2—La1xviii | 91.9 (4) |
La1i—La1—O1x | 136.3 (2) | La1xvii—O2—La2v | 115.4 (2) |
La1i—La1—O2vi | 44.1 (2) | La1xvii—O2—Si1 | 105.8 (3) |
La1i—La1—O2vii | 44.1 (2) | La1xviii—O2—La2v | 115.4 (2) |
La1i—La1—O2viii | 44.1 (2) | La1xviii—O2—Si1 | 105.8 (3) |
La1ii—La1—O1 | 43.65 (18) | La2v—O2—Si1 | 118.9 (7) |
La1ii—La1—O1ix | 43.65 (14) | La2viii—O3—Si1 | 143.4 (4) |
La1ii—La1—O1x | 43.7 (2) | Ca2—O4—Ca2iv | 120.00 (5) |
La1ii—La1—O2vi | 135.9 (2) | Ca2—O4—Ca2xi | 120.00 (6) |
La1ii—La1—O2vii | 135.9 (2) | Ca2—O4—La2 | 0 |
La1ii—La1—O2viii | 135.9 (2) | Ca2—O4—La2iv | 120.00 (5) |
O1—La1—O1ix | 73.4 (3) | Ca2—O4—La2xi | 120.00 (6) |
O1—La1—O1x | 73.4 (3) | Ca2iv—O4—Ca2xi | 120.00 (6) |
O1—La1—O2vi | 94.3 (3) | Ca2iv—O4—La2 | 120.00 (5) |
O1—La1—O2vii | 154.0 (3) | Ca2iv—O4—La2iv | 0 |
O1—La1—O2viii | 125.9 (3) | Ca2iv—O4—La2xi | 120.00 (6) |
O1ix—La1—O1x | 73.4 (3) | Ca2xi—O4—La2 | 120.00 (6) |
O1ix—La1—O2vi | 125.9 (4) | Ca2xi—O4—La2iv | 120.00 (6) |
O1ix—La1—O2vii | 94.3 (2) | Ca2xi—O4—La2xi | 0 |
O1ix—La1—O2viii | 154.0 (5) | La2—O4—La2iv | 120.00 (5) |
O1x—La1—O2vi | 154.0 (2) | La2—O4—La2xi | 120.00 (6) |
O1x—La1—O2vii | 125.9 (4) | La2iv—O4—La2xi | 120.00 (6) |
O1x—La1—O2viii | 94.3 (4) | | |
Symmetry codes: (i) x, y, −z−1/2; (ii) x, y, −z+1/2; (iii) x, y+1, z; (iv) −y, x−y, z; (v) −x+y+1, −x+1, z; (vi) −x+1, −y+1, z−1/2; (vii) y, −x+y+1, z−1/2; (viii) x−y, x, z−1/2; (ix) −y+1, x−y+1, z; (x) −x+y, −x+1, z; (xi) −x+y, −x, z; (xii) −y+1, x−y, z; (xiii) y, −x+y, z+1/2; (xiv) y, −x+y, −z; (xv) x, y−1, z; (xvi) x, y−1, −z+1/2; (xvii) −x+1, −y+1, z+1/2; (xviii) −x+1, −y+1, −z. |
Calcium neodymium silicate oxyapatite (Ca-Nd)
top Crystal data top Ca2Nd8(SiO4)6O2 | Z = 1 |
Mr = 1818.4 | Dx = 5.474 Mg m−3 |
Hexagonal, P63/m | Cu Kα radiation, λ = 1.54188 Å |
a = 9.52414 (5) Å | T = 295 K |
c = 7.02213 (5) Å | blue_violet |
V = 551.63 (1) Å3 | flat_sheet, 25 × 25 mm |
Data collection top Bruker D8 Advance diffractometer | Data collection mode: reflection |
Radiation source: sealed X-ray tube | Scan method: step |
Specimen mounting: packed powder pellet | 2θmin = 10°, 2θmax = 70°, 2θstep = 0.009° |
Refinement top Rp = 0.05 | 26 parameters |
Rwp = 0.06 | Weighting scheme based on measured s.u.'s |
Rexp = 0.03 | (Δ/σ)max = 0.001 |
RBragg = 0.03 | Background function: Chebychev |
6994 data points | Preferred orientation correction: spherical harmonic |
Profile function: pseudo-Voigt | |
Special details top Refinement. Beq were fixed as 1Å squared during refinement as they result high errors |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | Occ. (<1) |
Ca1 | 0.333333 | 0.666667 | −0.0015 (6) | 0.0127* | 0.448 |
Nd1 | 0.333333 | 0.666667 | −0.0015 (6) | 0.0127* | 0.552 |
Ca2 | 0.23298 (13) | −0.0105 (2) | 0.25 | 0.0127* | 0.035 |
Nd2 | 0.23298 (13) | −0.0105 (2) | 0.25 | 0.0127* | 0.965 |
Si1 | 0.4017 (6) | 0.3747 (7) | 0.25 | 0.0127* | |
O1 | 0.3225 (11) | 0.4858 (11) | 0.25 | 0.0127* | |
O2 | 0.5984 (12) | 0.4765 (11) | 0.25 | 0.0127* | |
O3 | 0.3343 (6) | 0.2513 (7) | 0.0773 (7) | 0.0127* | |
O4 | 0 | 0 | 0.25 | 0.0127* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
? | ? | ? | ? | ? | ? | ? |
Geometric parameters (Å, º) top Ca1—Ca1i | 3.490 (6) | Ca2—Ca2iv | 3.933 (3) |
Ca1—Ca1ii | 3.532 (6) | Ca2—Ca2xi | 3.933 (2) |
Ca1—Nd1 | 0 | Ca2—Nd2 | 0 |
Ca1—Nd1i | 3.490 (6) | Ca2—Nd2iv | 3.933 (3) |
Ca1—Nd1ii | 3.532 (6) | Ca2—Nd2xi | 3.933 (2) |
Ca1—Ca2iii | 4.053 (3) | Ca2—Si1 | 3.185 (6) |
Ca1—Ca2iv | 4.053 (2) | Ca2—Si1xi | 3.284 (5) |
Ca1—Ca2v | 4.053 (3) | Ca2—O2xii | 2.399 (9) |
Ca1—Si1vi | 3.250 (6) | Ca2—O3xiii | 2.431 (6) |
Ca1—Si1vii | 3.250 (8) | Ca2—O3xiv | 2.431 (6) |
Ca1—Si1viii | 3.250 (5) | Ca2—O4 | 2.2706 (16) |
Ca1—O1 | 2.433 (8) | Nd2—O2xii | 2.399 (9) |
Ca1—O1ix | 2.433 (7) | Nd2—O3xiii | 2.431 (6) |
Ca1—O1x | 2.433 (11) | Nd2—O3xiv | 2.431 (6) |
Nd1—Nd1i | 3.490 (6) | Nd2—O4 | 2.2706 (16) |
Nd1—Nd1ii | 3.532 (6) | Si1—O1 | 1.577 (15) |
Nd1—O1 | 2.433 (8) | Si1—O2 | 1.623 (11) |
Nd1—O1ix | 2.433 (7) | Si1—O3 | 1.584 (6) |
Nd1—O1x | 2.433 (11) | Si1—O3ii | 1.584 (6) |
| | | |
Ca1i—Ca1—Ca1ii | 180 | Ca1xvi—Ca2—O3xiii | 45.2 (2) |
Ca1i—Ca1—Nd1 | 0 | Ca1xvi—Ca2—O3xiv | 96.8 (2) |
Ca1i—Ca1—Nd1i | 0 | Ca1xvi—Ca2—O4 | 129.78 (4) |
Ca1i—Ca1—Nd1ii | 180 | Ca2iv—Ca2—Ca2xi | 60.00 (4) |
Ca1i—Ca1—Ca2iii | 115.83 (6) | Ca2iv—Ca2—Nd2 | 0 |
Ca1i—Ca1—Ca2iv | 115.83 (5) | Ca2iv—Ca2—Nd2iv | 0 |
Ca1i—Ca1—Ca2v | 115.83 (6) | Ca2iv—Ca2—Nd2xi | 60.00 (4) |
Ca1i—Ca1—Si1vi | 57.53 (9) | Ca2iv—Ca2—Si1 | 53.72 (12) |
Ca1i—Ca1—Si1vii | 57.53 (11) | Ca2iv—Ca2—Si1xi | 111.43 (17) |
Ca1i—Ca1—Si1viii | 57.53 (8) | Ca2iv—Ca2—O2xii | 120.7 (4) |
Ca1i—Ca1—O1 | 136.5 (2) | Ca2iv—Ca2—O3xiii | 108.2 (2) |
Ca1i—Ca1—O1ix | 136.54 (17) | Ca2iv—Ca2—O3xiv | 108.2 (2) |
Ca1i—Ca1—O1x | 136.5 (3) | Ca2iv—Ca2—O4 | 30.00 (4) |
Ca1ii—Ca1—Nd1 | 0 | Ca2xi—Ca2—Nd2 | 0 |
Ca1ii—Ca1—Nd1i | 180 | Ca2xi—Ca2—Nd2iv | 60.00 (4) |
Ca1ii—Ca1—Nd1ii | 0 | Ca2xi—Ca2—Nd2xi | 0 |
Ca1ii—Ca1—Ca2iii | 64.17 (6) | Ca2xi—Ca2—Si1 | 113.72 (13) |
Ca1ii—Ca1—Ca2iv | 64.17 (5) | Ca2xi—Ca2—Si1xi | 51.43 (17) |
Ca1ii—Ca1—Ca2v | 64.17 (6) | Ca2xi—Ca2—O2xii | 179.3 (4) |
Ca1ii—Ca1—Si1vi | 122.47 (9) | Ca2xi—Ca2—O3xiii | 94.26 (14) |
Ca1ii—Ca1—Si1vii | 122.47 (11) | Ca2xi—Ca2—O3xiv | 94.26 (14) |
Ca1ii—Ca1—Si1viii | 122.47 (8) | Ca2xi—Ca2—O4 | 30.00 (3) |
Ca1ii—Ca1—O1 | 43.5 (2) | Nd2—Ca2—Nd2iv | 0 |
Ca1ii—Ca1—O1ix | 43.46 (17) | Nd2—Ca2—Nd2xi | 0 |
Ca1ii—Ca1—O1x | 43.5 (3) | Nd2—Ca2—Si1 | 0 |
Nd1—Ca1—Nd1i | 0 | Nd2—Ca2—Si1xi | 0 |
Nd1—Ca1—Nd1ii | 0 | Nd2—Ca2—O2xii | 0 |
Nd1—Ca1—Ca2iii | 0 | Nd2—Ca2—O3xiii | 0 |
Nd1—Ca1—Ca2iv | 0 | Nd2—Ca2—O3xiv | 0 |
Nd1—Ca1—Ca2v | 0 | Nd2—Ca2—O4 | 0 |
Nd1—Ca1—Si1vi | 0 | Nd2iv—Ca2—Nd2xi | 60.00 (4) |
Nd1—Ca1—Si1vii | 0 | Nd2iv—Ca2—Si1 | 53.72 (12) |
Nd1—Ca1—Si1viii | 0 | Nd2iv—Ca2—Si1xi | 111.43 (17) |
Nd1—Ca1—O1 | 0 | Nd2iv—Ca2—O2xii | 120.7 (4) |
Nd1—Ca1—O1ix | 0 | Nd2iv—Ca2—O3xiii | 108.2 (2) |
Nd1—Ca1—O1x | 0 | Nd2iv—Ca2—O3xiv | 108.2 (2) |
Nd1i—Ca1—Nd1ii | 180 | Nd2iv—Ca2—O4 | 30.00 (4) |
Nd1i—Ca1—Ca2iii | 115.83 (6) | Nd2xi—Ca2—Si1 | 113.72 (13) |
Nd1i—Ca1—Ca2iv | 115.83 (5) | Nd2xi—Ca2—Si1xi | 51.43 (17) |
Nd1i—Ca1—Ca2v | 115.83 (6) | Nd2xi—Ca2—O2xii | 179.3 (4) |
Nd1i—Ca1—Si1vi | 57.53 (9) | Nd2xi—Ca2—O3xiii | 94.26 (14) |
Nd1i—Ca1—Si1vii | 57.53 (11) | Nd2xi—Ca2—O3xiv | 94.26 (14) |
Nd1i—Ca1—Si1viii | 57.53 (8) | Nd2xi—Ca2—O4 | 30.00 (3) |
Nd1i—Ca1—O1 | 136.5 (2) | Si1—Ca2—Si1xi | 165.1 (2) |
Nd1i—Ca1—O1ix | 136.54 (17) | Si1—Ca2—O2xii | 67.0 (4) |
Nd1i—Ca1—O1x | 136.5 (3) | Si1—Ca2—O3xiii | 105.11 (18) |
Nd1ii—Ca1—Ca2iii | 64.17 (6) | Si1—Ca2—O3xiv | 105.11 (18) |
Nd1ii—Ca1—Ca2iv | 64.17 (5) | Si1—Ca2—O4 | 83.72 (13) |
Nd1ii—Ca1—Ca2v | 64.17 (6) | Si1xi—Ca2—O2xii | 127.8 (4) |
Nd1ii—Ca1—Si1vi | 122.47 (9) | Si1xi—Ca2—O3xiii | 78.36 (16) |
Nd1ii—Ca1—Si1vii | 122.47 (11) | Si1xi—Ca2—O3xiv | 78.36 (16) |
Nd1ii—Ca1—Si1viii | 122.47 (8) | Si1xi—Ca2—O4 | 81.43 (17) |
Nd1ii—Ca1—O1 | 43.5 (2) | O2xii—Ca2—O3xiii | 85.50 (19) |
Nd1ii—Ca1—O1ix | 43.46 (17) | O2xii—Ca2—O3xiv | 85.50 (19) |
Nd1ii—Ca1—O1x | 43.5 (3) | O2xii—Ca2—O4 | 150.7 (4) |
Ca2iii—Ca1—Ca2iv | 102.43 (7) | O3xiii—Ca2—O3xiv | 142.0 (3) |
Ca2iii—Ca1—Ca2v | 102.43 (7) | O3xiii—Ca2—O4 | 102.89 (19) |
Ca2iii—Ca1—Si1vi | 144.87 (10) | O3xiv—Ca2—O4 | 102.89 (19) |
Ca2iii—Ca1—Si1vii | 61.42 (11) | Ca2—Nd2—Ca2iv | 0 |
Ca2iii—Ca1—Si1viii | 111.25 (16) | Ca2—Nd2—Ca2xi | 0 |
Ca2iii—Ca1—O1 | 106.2 (3) | Ca2—Nd2—O2xii | 0 |
Ca2iii—Ca1—O1ix | 62.3 (4) | Ca2—Nd2—O3xiii | 0 |
Ca2iii—Ca1—O1x | 40.3 (2) | Ca2—Nd2—O3xiv | 0 |
Ca2iv—Ca1—Ca2v | 102.42 (7) | Ca2—Nd2—O4 | 0 |
Ca2iv—Ca1—Si1vi | 111.25 (11) | Ca2iv—Nd2—Ca2xi | 60.00 (4) |
Ca2iv—Ca1—Si1vii | 144.87 (12) | Ca2iv—Nd2—O2xii | 120.7 (4) |
Ca2iv—Ca1—Si1viii | 61.42 (5) | Ca2iv—Nd2—O3xiii | 108.2 (2) |
Ca2iv—Ca1—O1 | 40.3 (2) | Ca2iv—Nd2—O3xiv | 108.2 (2) |
Ca2iv—Ca1—O1ix | 106.2 (2) | Ca2iv—Nd2—O4 | 30.00 (4) |
Ca2iv—Ca1—O1x | 62.3 (2) | Ca2xi—Nd2—O2xii | 179.3 (4) |
Ca2v—Ca1—Si1vi | 61.42 (6) | Ca2xi—Nd2—O3xiii | 94.26 (14) |
Ca2v—Ca1—Si1vii | 111.25 (10) | Ca2xi—Nd2—O3xiv | 94.26 (14) |
Ca2v—Ca1—Si1viii | 144.87 (16) | Ca2xi—Nd2—O4 | 30.00 (3) |
Ca2v—Ca1—O1 | 62.3 (2) | O2xii—Nd2—O3xiii | 85.50 (19) |
Ca2v—Ca1—O1ix | 40.3 (4) | O2xii—Nd2—O3xiv | 85.50 (19) |
Ca2v—Ca1—O1x | 106.2 (3) | O2xii—Nd2—O4 | 150.7 (4) |
Si1vi—Ca1—Si1vii | 93.88 (18) | O3xiii—Nd2—O3xiv | 142.0 (3) |
Si1vi—Ca1—Si1viii | 93.88 (17) | O3xiii—Nd2—O4 | 102.89 (19) |
Si1vi—Ca1—O1 | 93.7 (3) | O3xiv—Nd2—O4 | 102.89 (19) |
Si1vi—Ca1—O1ix | 97.8 (3) | Ca1xvii—Si1—Ca1xviii | 64.95 (16) |
Si1vi—Ca1—O1x | 165.6 (3) | Ca1xvii—Si1—Ca2 | 80.53 (16) |
Si1vii—Ca1—Si1viii | 93.88 (15) | Ca1xvii—Si1—Ca2iv | 139.09 (12) |
Si1vii—Ca1—O1 | 165.6 (2) | Ca1xvii—Si1—O1 | 137.9 (2) |
Si1vii—Ca1—O1ix | 93.7 (3) | Ca1xvii—Si1—O2 | 48.5 (3) |
Si1vii—Ca1—O1x | 97.8 (3) | Ca1xvii—Si1—O3 | 111.9 (4) |
Si1viii—Ca1—O1 | 97.83 (18) | Ca1xvii—Si1—O3ii | 63.3 (3) |
Si1viii—Ca1—O1ix | 165.6 (2) | Ca1xviii—Si1—Ca2 | 80.53 (16) |
Si1viii—Ca1—O1x | 93.7 (2) | Ca1xviii—Si1—Ca2iv | 139.09 (12) |
O1—Ca1—O1ix | 73.1 (3) | Ca1xviii—Si1—O1 | 137.9 (2) |
O1—Ca1—O1x | 73.1 (4) | Ca1xviii—Si1—O2 | 48.5 (3) |
O1ix—Ca1—O1x | 73.1 (3) | Ca1xviii—Si1—O3 | 63.3 (3) |
Ca1—Nd1—Ca1i | 0 | Ca1xviii—Si1—O3ii | 111.9 (4) |
Ca1—Nd1—Ca1ii | 0 | Ca2—Si1—Ca2iv | 74.85 (11) |
Ca1—Nd1—Nd1i | 0 | Ca2—Si1—O1 | 129.6 (4) |
Ca1—Nd1—Nd1ii | 0 | Ca2—Si1—O2 | 117.1 (6) |
Ca1—Nd1—O1 | 0 | Ca2—Si1—O3 | 50.3 (3) |
Ca1—Nd1—O1ix | 0 | Ca2—Si1—O3ii | 50.3 (3) |
Ca1—Nd1—O1x | 0 | Ca2iv—Si1—O1 | 54.8 (3) |
Ca1i—Nd1—Ca1ii | 180 | Ca2iv—Si1—O2 | 168.1 (6) |
Ca1i—Nd1—Nd1i | 0 | Ca2iv—Si1—O3 | 75.9 (3) |
Ca1i—Nd1—Nd1ii | 180 | Ca2iv—Si1—O3ii | 75.9 (3) |
Ca1i—Nd1—O1 | 136.5 (2) | O1—Si1—O2 | 113.3 (6) |
Ca1i—Nd1—O1ix | 136.54 (17) | O1—Si1—O3 | 110.2 (4) |
Ca1i—Nd1—O1x | 136.5 (3) | O1—Si1—O3ii | 110.2 (4) |
Ca1ii—Nd1—Nd1i | 180 | O2—Si1—O3 | 111.2 (4) |
Ca1ii—Nd1—Nd1ii | 0 | O2—Si1—O3ii | 111.2 (4) |
Ca1ii—Nd1—O1 | 43.5 (2) | O3—Si1—O3ii | 99.9 (4) |
Ca1ii—Nd1—O1ix | 43.46 (17) | Ca1—O1—Ca1ii | 93.1 (4) |
Ca1ii—Nd1—O1x | 43.5 (3) | Ca1—O1—Nd1 | 0 |
Nd1i—Nd1—Nd1ii | 180 | Ca1—O1—Nd1ii | 93.1 (4) |
Nd1i—Nd1—O1 | 136.5 (2) | Ca1—O1—Si1 | 127.6 (3) |
Nd1i—Nd1—O1ix | 136.54 (17) | Ca1ii—O1—Nd1 | 93.1 (4) |
Nd1i—Nd1—O1x | 136.5 (3) | Ca1ii—O1—Nd1ii | 0 |
Nd1ii—Nd1—O1 | 43.5 (2) | Ca1ii—O1—Si1 | 127.6 (3) |
Nd1ii—Nd1—O1ix | 43.46 (17) | Nd1—O1—Nd1ii | 93.1 (4) |
Nd1ii—Nd1—O1x | 43.5 (3) | Nd1—O1—Si1 | 127.6 (3) |
O1—Nd1—O1ix | 73.1 (3) | Nd1ii—O1—Si1 | 127.6 (3) |
O1—Nd1—O1x | 73.1 (4) | Ca2v—O2—Nd2v | 0 |
O1ix—Nd1—O1x | 73.1 (3) | Ca2v—O2—Si1 | 124.1 (7) |
Ca1xv—Ca2—Ca1xvi | 51.67 (8) | Nd2v—O2—Si1 | 124.1 (7) |
Ca1xv—Ca2—Ca2iv | 150.53 (5) | Ca2viii—O3—Nd2viii | 0 |
Ca1xv—Ca2—Ca2xi | 103.74 (4) | Ca2viii—O3—Si1 | 140.8 (5) |
Ca1xv—Ca2—Nd2 | 0 | Nd2viii—O3—Si1 | 140.8 (5) |
Ca1xv—Ca2—Nd2iv | 150.53 (5) | Ca2—O4—Ca2iv | 120.00 (6) |
Ca1xv—Ca2—Nd2xi | 103.74 (4) | Ca2—O4—Ca2xi | 120.00 (7) |
Ca1xv—Ca2—Si1 | 134.37 (10) | Ca2—O4—Nd2 | 0 |
Ca1xv—Ca2—Si1xi | 57.95 (14) | Ca2—O4—Nd2iv | 120.00 (6) |
Ca1xv—Ca2—O2xii | 75.6 (3) | Ca2—O4—Nd2xi | 120.00 (7) |
Ca1xv—Ca2—O3xiii | 96.8 (2) | Ca2iv—O4—Ca2xi | 120.00 (7) |
Ca1xv—Ca2—O3xiv | 45.2 (2) | Ca2iv—O4—Nd2 | 120.00 (6) |
Ca1xv—Ca2—O4 | 129.78 (4) | Ca2iv—O4—Nd2iv | 0 |
Ca1xvi—Ca2—Ca2iv | 150.53 (5) | Ca2iv—O4—Nd2xi | 120.00 (7) |
Ca1xvi—Ca2—Ca2xi | 103.74 (4) | Ca2xi—O4—Nd2 | 120.00 (7) |
Ca1xvi—Ca2—Nd2 | 0 | Ca2xi—O4—Nd2iv | 120.00 (7) |
Ca1xvi—Ca2—Nd2iv | 150.53 (5) | Ca2xi—O4—Nd2xi | 0 |
Ca1xvi—Ca2—Nd2xi | 103.74 (4) | Nd2—O4—Nd2iv | 120.00 (6) |
Ca1xvi—Ca2—Si1 | 134.37 (10) | Nd2—O4—Nd2xi | 120.00 (7) |
Ca1xvi—Ca2—Si1xi | 57.95 (14) | Nd2iv—O4—Nd2xi | 120.00 (7) |
Ca1xvi—Ca2—O2xii | 75.6 (3) | | |
Symmetry codes: (i) x, y, −z−1/2; (ii) x, y, −z+1/2; (iii) x, y+1, z; (iv) −y, x−y, z; (v) −x+y+1, −x+1, z; (vi) −x+1, −y+1, z−1/2; (vii) y, −x+y+1, z−1/2; (viii) x−y, x, z−1/2; (ix) −y+1, x−y+1, z; (x) −x+y, −x+1, z; (xi) −x+y, −x, z; (xii) −y+1, x−y, z; (xiii) y, −x+y, z+1/2; (xiv) y, −x+y, −z; (xv) x, y−1, z; (xvi) x, y−1, −z+1/2; (xvii) −x+1, −y+1, z+1/2; (xviii) −x+1, −y+1, −z. |
Calcium samarium silicate oxyapatite (Ca-Sm)
top Crystal data top Ca2Sm8(SiO4)6O2 | Z = 1 |
Mr = 1867.3 | Dx = 5.750 Mg m−3 |
Hexagonal, P63/m | Cu Kα radiation, λ = 1.54188 Å |
a = 9.46696 (6) Å | T = 295 K |
c = 6.94810 (5) Å | yellow_gray |
V = 539.28 (1) Å3 | flat_sheet, 25 × 25 mm |
Data collection top Bruker D8 Advance diffractometer | Data collection mode: reflection |
Radiation source: sealed X-ray tube | Scan method: step |
Specimen mounting: packed powder pellet | 2θmin = 10°, 2θmax = 70°, 2θstep = 0.009° |
Refinement top Rp = 0.04 | 26 parameters |
Rwp = 0.06 | Weighting scheme based on measured s.u.'s |
Rexp = 0.03 | (Δ/σ)max = 0.013 |
RBragg = 0.04 | Background function: Chebychev |
6994 data points | Preferred orientation correction: spherical harmonic |
Profile function: pseudo-Voigt | |
Special details top Refinement. Beq were fixed as 1Å squared during refinement as they result high errors |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | Occ. (<1) |
Ca1 | 0.333333 | 0.666667 | −0.0007 (7) | 0.0127* | 0.448 |
Sm1 | 0.333333 | 0.666667 | −0.0007 (7) | 0.0127* | 0.552 |
Ca2 | 0.23285 (16) | −0.0082 (3) | 0.25 | 0.0127* | 0.035 |
Sm2 | 0.23285 (16) | −0.0082 (3) | 0.25 | 0.0127* | 0.965 |
Si1 | 0.3996 (7) | 0.3727 (8) | 0.25 | 0.0127* | |
O1 | 0.3267 (12) | 0.4885 (12) | 0.25 | 0.0127* | |
O2 | 0.5929 (13) | 0.4699 (12) | 0.25 | 0.0127* | |
O3 | 0.3402 (7) | 0.2520 (7) | 0.0699 (8) | 0.0127* | |
O4 | 0 | 0 | 0.25 | 0.0127* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
? | ? | ? | ? | ? | ? | ? |
Geometric parameters (Å, º) top Ca1—Ca1i | 3.464 (7) | Ca2—Ca2xii | 4.1359 (14) |
Ca1—Ca1ii | 3.484 (7) | Ca2—Ca2xiii | 4.1359 (14) |
Ca1—Sm1 | 0 | Ca2—Ca2viii | 4.136 (2) |
Ca1—Sm1i | 3.464 (7) | Ca2—Ca2xiv | 4.136 (2) |
Ca1—Sm1ii | 3.484 (7) | Ca2—Sm2 | 0 |
Ca1—Ca2iii | 4.042 (3) | Ca2—Sm2iv | 3.887 (5) |
Ca1—Ca2iv | 4.042 (3) | Ca2—Sm2xi | 3.887 (3) |
Ca1—Ca2v | 4.042 (4) | Ca2—Si1 | 3.131 (7) |
Ca1—Ca2vi | 4.128 (2) | Ca2—Si1xi | 3.266 (6) |
Ca1—Ca2vii | 4.128 (4) | Ca2—O2xv | 2.443 (10) |
Ca1—Ca2viii | 4.128 (3) | Ca2—O3xiii | 2.384 (6) |
Ca1—Si1vi | 3.236 (7) | Ca2—O3xvi | 2.384 (6) |
Ca1—Si1vii | 3.236 (9) | Ca2—O4 | 2.244 (2) |
Ca1—Si1viii | 3.236 (6) | Sm2—Si1 | 3.131 (7) |
Ca1—O1 | 2.404 (9) | Sm2—O3xiii | 2.384 (6) |
Ca1—O1ix | 2.404 (8) | Sm2—O3xvi | 2.384 (6) |
Ca1—O1x | 2.404 (12) | Sm2—O4 | 2.244 (2) |
Sm1—Sm1i | 3.464 (7) | Si1—O1 | 1.560 (16) |
Sm1—Sm1ii | 3.484 (7) | Si1—O2 | 1.585 (12) |
Ca2—Ca2iv | 3.887 (5) | Si1—O3 | 1.595 (7) |
Ca2—Ca2xi | 3.887 (3) | Si1—O3ii | 1.595 (7) |
| | | |
Ca1i—Ca1—Ca1ii | 180 | Ca1xx—Ca2—Ca2xi | 103.30 (5) |
Ca1i—Ca1—Sm1 | 0 | Ca1xx—Ca2—Ca2xii | 103.49 (9) |
Ca1i—Ca1—Sm1i | 0 | Ca1xx—Ca2—Ca2xiii | 60.62 (8) |
Ca1i—Ca1—Sm1ii | 180 | Ca1xx—Ca2—Ca2viii | 146.66 (9) |
Ca1i—Ca1—Ca2iii | 115.52 (6) | Ca1xx—Ca2—Ca2xiv | 96.40 (7) |
Ca1i—Ca1—Ca2iv | 115.52 (6) | Ca1xx—Ca2—Sm2 | 0 |
Ca1i—Ca1—Ca2v | 115.52 (7) | Ca1xx—Ca2—Sm2iv | 150.54 (6) |
Ca1i—Ca1—Ca2vi | 65.19 (6) | Ca1xx—Ca2—Sm2xi | 103.30 (5) |
Ca1i—Ca1—Ca2vii | 65.19 (6) | Ca1xx—Ca2—Si1 | 134.58 (12) |
Ca1i—Ca1—Ca2viii | 65.19 (6) | Ca1xx—Ca2—Si1xi | 57.75 (17) |
Ca1i—Ca1—Si1vi | 57.64 (10) | Ca1xx—Ca2—O2xv | 74.8 (4) |
Ca1i—Ca1—Si1vii | 57.64 (12) | Ca1xx—Ca2—O3xiii | 43.3 (2) |
Ca1i—Ca1—Si1viii | 57.64 (10) | Ca1xx—Ca2—O3xvi | 94.3 (3) |
Ca1i—Ca1—O1 | 136.4 (2) | Ca1xx—Ca2—O4 | 129.46 (6) |
Ca1i—Ca1—O1ix | 136.44 (19) | Ca2iv—Ca2—Ca2xi | 60.00 (5) |
Ca1i—Ca1—O1x | 136.4 (3) | Ca2iv—Ca2—Ca2xii | 90.00 (6) |
Ca1ii—Ca1—Sm1 | 0 | Ca2iv—Ca2—Ca2xiii | 90.00 (6) |
Ca1ii—Ca1—Sm1i | 180 | Ca2iv—Ca2—Ca2viii | 61.97 (5) |
Ca1ii—Ca1—Sm1ii | 0 | Ca2iv—Ca2—Ca2xiv | 61.97 (5) |
Ca1ii—Ca1—Ca2iii | 64.48 (6) | Ca2iv—Ca2—Sm2 | 0 |
Ca1ii—Ca1—Ca2iv | 64.48 (6) | Ca2iv—Ca2—Sm2iv | 0 |
Ca1ii—Ca1—Ca2v | 64.48 (7) | Ca2iv—Ca2—Sm2xi | 60.00 (5) |
Ca1ii—Ca1—Ca2vi | 114.81 (6) | Ca2iv—Ca2—Si1 | 54.17 (15) |
Ca1ii—Ca1—Ca2vii | 114.81 (6) | Ca2iv—Ca2—Si1xi | 111.0 (2) |
Ca1ii—Ca1—Ca2viii | 114.81 (6) | Ca2iv—Ca2—O2xv | 122.2 (4) |
Ca1ii—Ca1—Si1vi | 122.36 (10) | Ca2iv—Ca2—O3xiii | 110.1 (2) |
Ca1ii—Ca1—Si1vii | 122.36 (12) | Ca2iv—Ca2—O3xvi | 110.1 (2) |
Ca1ii—Ca1—Si1viii | 122.36 (10) | Ca2iv—Ca2—O4 | 30.00 (5) |
Ca1ii—Ca1—O1 | 43.6 (2) | Ca2xi—Ca2—Ca2xii | 61.97 (4) |
Ca1ii—Ca1—O1ix | 43.56 (19) | Ca2xi—Ca2—Ca2xiii | 61.97 (4) |
Ca1ii—Ca1—O1x | 43.6 (3) | Ca2xi—Ca2—Ca2viii | 90.00 (5) |
Sm1—Ca1—Sm1i | 0 | Ca2xi—Ca2—Ca2xiv | 90.00 (5) |
Sm1—Ca1—Sm1ii | 0 | Ca2xi—Ca2—Sm2 | 0 |
Sm1—Ca1—Ca2iii | 0 | Ca2xi—Ca2—Sm2iv | 60.00 (5) |
Sm1—Ca1—Ca2iv | 0 | Ca2xi—Ca2—Sm2xi | 0 |
Sm1—Ca1—Ca2v | 0 | Ca2xi—Ca2—Si1 | 114.17 (16) |
Sm1—Ca1—Ca2vi | 0 | Ca2xi—Ca2—Si1xi | 51.02 (19) |
Sm1—Ca1—Ca2vii | 0 | Ca2xi—Ca2—O2xv | 177.8 (4) |
Sm1—Ca1—Ca2viii | 0 | Ca2xi—Ca2—O3xiii | 94.39 (14) |
Sm1—Ca1—Si1vi | 0 | Ca2xi—Ca2—O3xvi | 94.39 (14) |
Sm1—Ca1—Si1vii | 0 | Ca2xi—Ca2—O4 | 30.00 (4) |
Sm1—Ca1—Si1viii | 0 | Ca2xii—Ca2—Ca2xiii | 114.28 (5) |
Sm1—Ca1—O1 | 0 | Ca2xii—Ca2—Ca2viii | 56.06 (4) |
Sm1—Ca1—O1ix | 0 | Ca2xii—Ca2—Ca2xiv | 148.52 (9) |
Sm1—Ca1—O1x | 0 | Ca2xii—Ca2—Sm2 | 0 |
Sm1i—Ca1—Sm1ii | 180 | Ca2xii—Ca2—Sm2iv | 90.00 (6) |
Sm1i—Ca1—Ca2iii | 115.52 (6) | Ca2xii—Ca2—Sm2xi | 61.97 (4) |
Sm1i—Ca1—Ca2iv | 115.52 (6) | Ca2xii—Ca2—Si1 | 116.10 (8) |
Sm1i—Ca1—Ca2v | 115.52 (7) | Ca2xii—Ca2—Si1xi | 59.57 (6) |
Sm1i—Ca1—Ca2vi | 65.19 (6) | Ca2xii—Ca2—O2xv | 117.35 (14) |
Sm1i—Ca1—Ca2vii | 65.19 (6) | Ca2xii—Ca2—O3xiii | 136.31 (19) |
Sm1i—Ca1—Ca2viii | 65.19 (6) | Ca2xii—Ca2—O3xvi | 32.53 (15) |
Sm1i—Ca1—Si1vi | 57.64 (10) | Ca2xii—Ca2—O4 | 74.26 (5) |
Sm1i—Ca1—Si1vii | 57.64 (12) | Ca2xiii—Ca2—Ca2viii | 148.52 (9) |
Sm1i—Ca1—Si1viii | 57.64 (10) | Ca2xiii—Ca2—Ca2xiv | 56.06 (4) |
Sm1i—Ca1—O1 | 136.4 (2) | Ca2xiii—Ca2—Sm2 | 0 |
Sm1i—Ca1—O1ix | 136.44 (19) | Ca2xiii—Ca2—Sm2iv | 90.00 (6) |
Sm1i—Ca1—O1x | 136.4 (3) | Ca2xiii—Ca2—Sm2xi | 61.97 (4) |
Sm1ii—Ca1—Ca2iii | 64.48 (6) | Ca2xiii—Ca2—Si1 | 116.10 (8) |
Sm1ii—Ca1—Ca2iv | 64.48 (6) | Ca2xiii—Ca2—Si1xi | 59.57 (6) |
Sm1ii—Ca1—Ca2v | 64.48 (7) | Ca2xiii—Ca2—O2xv | 117.35 (14) |
Sm1ii—Ca1—Ca2vi | 114.81 (6) | Ca2xiii—Ca2—O3xiii | 32.53 (15) |
Sm1ii—Ca1—Ca2vii | 114.81 (6) | Ca2xiii—Ca2—O3xvi | 136.31 (19) |
Sm1ii—Ca1—Ca2viii | 114.81 (6) | Ca2xiii—Ca2—O4 | 74.26 (5) |
Sm1ii—Ca1—Si1vi | 122.36 (10) | Ca2viii—Ca2—Ca2xiv | 114.28 (8) |
Sm1ii—Ca1—Si1vii | 122.36 (12) | Ca2viii—Ca2—Sm2 | 0 |
Sm1ii—Ca1—Si1viii | 122.36 (10) | Ca2viii—Ca2—Sm2iv | 61.97 (5) |
Sm1ii—Ca1—O1 | 43.6 (2) | Ca2viii—Ca2—Sm2xi | 90.00 (5) |
Sm1ii—Ca1—O1ix | 43.56 (19) | Ca2viii—Ca2—Si1 | 60.33 (5) |
Sm1ii—Ca1—O1x | 43.6 (3) | Ca2viii—Ca2—Si1xi | 114.95 (8) |
Ca2iii—Ca1—Ca2iv | 102.80 (9) | Ca2viii—Ca2—O2xv | 91.2 (2) |
Ca2iii—Ca1—Ca2v | 102.80 (8) | Ca2viii—Ca2—O3xiii | 167.1 (2) |
Ca2iii—Ca1—Ca2vi | 96.04 (4) | Ca2viii—Ca2—O3xvi | 53.8 (2) |
Ca2iii—Ca1—Ca2vii | 60.81 (4) | Ca2viii—Ca2—O4 | 74.26 (7) |
Ca2iii—Ca1—Ca2viii | 157.66 (5) | Ca2xiv—Ca2—Sm2 | 0 |
Ca2iii—Ca1—Si1vi | 144.40 (11) | Ca2xiv—Ca2—Sm2iv | 61.97 (5) |
Ca2iii—Ca1—Si1vii | 60.89 (12) | Ca2xiv—Ca2—Sm2xi | 90.00 (5) |
Ca2iii—Ca1—Si1viii | 111.42 (18) | Ca2xiv—Ca2—Si1 | 60.33 (5) |
Ca2iii—Ca1—O1 | 106.8 (3) | Ca2xiv—Ca2—Si1xi | 114.95 (8) |
Ca2iii—Ca1—O1ix | 61.7 (4) | Ca2xiv—Ca2—O2xv | 91.2 (2) |
Ca2iii—Ca1—O1x | 41.3 (3) | Ca2xiv—Ca2—O3xiii | 53.8 (2) |
Ca2iv—Ca1—Ca2v | 102.80 (9) | Ca2xiv—Ca2—O3xvi | 167.1 (2) |
Ca2iv—Ca1—Ca2vi | 157.66 (7) | Ca2xiv—Ca2—O4 | 74.26 (7) |
Ca2iv—Ca1—Ca2vii | 96.04 (5) | Sm2—Ca2—Sm2iv | 0 |
Ca2iv—Ca1—Ca2viii | 60.81 (4) | Sm2—Ca2—Sm2xi | 0 |
Ca2iv—Ca1—Si1vi | 111.42 (13) | Sm2—Ca2—Si1 | 0 |
Ca2iv—Ca1—Si1vii | 144.40 (13) | Sm2—Ca2—Si1xi | 0 |
Ca2iv—Ca1—Si1viii | 60.89 (6) | Sm2—Ca2—O2xv | 0 |
Ca2iv—Ca1—O1 | 41.3 (2) | Sm2—Ca2—O3xiii | 0 |
Ca2iv—Ca1—O1ix | 106.8 (3) | Sm2—Ca2—O3xvi | 0 |
Ca2iv—Ca1—O1x | 61.7 (3) | Sm2—Ca2—O4 | 0 |
Ca2v—Ca1—Ca2vi | 60.81 (3) | Sm2iv—Ca2—Sm2xi | 60.00 (5) |
Ca2v—Ca1—Ca2vii | 157.66 (4) | Sm2iv—Ca2—Si1 | 54.17 (15) |
Ca2v—Ca1—Ca2viii | 96.04 (5) | Sm2iv—Ca2—Si1xi | 111.0 (2) |
Ca2v—Ca1—Si1vi | 60.89 (7) | Sm2iv—Ca2—O2xv | 122.2 (4) |
Ca2v—Ca1—Si1vii | 111.42 (11) | Sm2iv—Ca2—O3xiii | 110.1 (2) |
Ca2v—Ca1—Si1viii | 144.40 (18) | Sm2iv—Ca2—O3xvi | 110.1 (2) |
Ca2v—Ca1—O1 | 61.7 (2) | Sm2iv—Ca2—O4 | 30.00 (5) |
Ca2v—Ca1—O1ix | 41.3 (4) | Sm2xi—Ca2—Si1 | 114.17 (16) |
Ca2v—Ca1—O1x | 106.8 (3) | Sm2xi—Ca2—Si1xi | 51.02 (19) |
Ca2vi—Ca1—Ca2vii | 103.65 (8) | Sm2xi—Ca2—O2xv | 177.8 (4) |
Ca2vi—Ca1—Ca2viii | 103.65 (9) | Sm2xi—Ca2—O3xiii | 94.39 (14) |
Ca2vi—Ca1—Si1vi | 48.48 (12) | Sm2xi—Ca2—O3xvi | 94.39 (14) |
Ca2vi—Ca1—Si1vii | 56.62 (14) | Sm2xi—Ca2—O4 | 30.00 (4) |
Ca2vi—Ca1—Si1viii | 122.64 (15) | Si1—Ca2—Si1xi | 165.2 (2) |
Ca2vi—Ca1—O1 | 121.4 (3) | Si1—Ca2—O2xv | 68.0 (4) |
Ca2vi—Ca1—O1ix | 71.80 (16) | Si1—Ca2—O3xiii | 106.9 (2) |
Ca2vi—Ca1—O1x | 134.8 (2) | Si1—Ca2—O3xvi | 106.9 (2) |
Ca2vii—Ca1—Ca2viii | 103.65 (9) | Si1—Ca2—O4 | 84.17 (16) |
Ca2vii—Ca1—Si1vi | 122.64 (16) | Si1xi—Ca2—O2xv | 126.8 (5) |
Ca2vii—Ca1—Si1vii | 48.48 (13) | Si1xi—Ca2—O3xiii | 76.90 (18) |
Ca2vii—Ca1—Si1viii | 56.62 (18) | Si1xi—Ca2—O3xvi | 76.90 (18) |
Ca2vii—Ca1—O1 | 134.8 (3) | Si1xi—Ca2—O4 | 81.02 (19) |
Ca2vii—Ca1—O1ix | 121.4 (4) | O2xv—Ca2—O3xiii | 84.9 (2) |
Ca2vii—Ca1—O1x | 71.8 (3) | O2xv—Ca2—O3xvi | 84.9 (2) |
Ca2viii—Ca1—Si1vi | 56.62 (11) | O2xv—Ca2—O4 | 152.2 (4) |
Ca2viii—Ca1—Si1vii | 122.64 (16) | O3xiii—Ca2—O3xvi | 137.6 (4) |
Ca2viii—Ca1—Si1viii | 48.48 (19) | O3xiii—Ca2—O4 | 104.06 (19) |
Ca2viii—Ca1—O1 | 71.8 (2) | O3xvi—Ca2—O4 | 104.06 (19) |
Ca2viii—Ca1—O1ix | 134.8 (4) | Ca2—Sm2—Ca2iv | 0 |
Ca2viii—Ca1—O1x | 121.4 (2) | Ca2—Sm2—Ca2xi | 0 |
Si1vi—Ca1—Si1vii | 94.0 (2) | Ca2—Sm2—Si1 | 0 |
Si1vi—Ca1—Si1viii | 94.0 (2) | Ca2—Sm2—O3xiii | 0 |
Si1vi—Ca1—O1 | 93.1 (3) | Ca2—Sm2—O3xvi | 0 |
Si1vi—Ca1—O1ix | 98.1 (3) | Ca2—Sm2—O4 | 0 |
Si1vi—Ca1—O1x | 165.4 (4) | Ca2iv—Sm2—Ca2xi | 60.00 (5) |
Si1vii—Ca1—Si1viii | 94.03 (18) | Ca2iv—Sm2—Si1 | 54.17 (15) |
Si1vii—Ca1—O1 | 165.4 (3) | Ca2iv—Sm2—O3xiii | 110.1 (2) |
Si1vii—Ca1—O1ix | 93.1 (3) | Ca2iv—Sm2—O3xvi | 110.1 (2) |
Si1vii—Ca1—O1x | 98.1 (3) | Ca2iv—Sm2—O4 | 30.00 (5) |
Si1viii—Ca1—O1 | 98.1 (2) | Ca2xi—Sm2—Si1 | 114.17 (16) |
Si1viii—Ca1—O1ix | 165.4 (2) | Ca2xi—Sm2—O3xiii | 94.39 (14) |
Si1viii—Ca1—O1x | 93.1 (3) | Ca2xi—Sm2—O3xvi | 94.39 (14) |
O1—Ca1—O1ix | 73.3 (4) | Ca2xi—Sm2—O4 | 30.00 (4) |
O1—Ca1—O1x | 73.3 (4) | Si1—Sm2—O3xiii | 106.9 (2) |
O1ix—Ca1—O1x | 73.3 (4) | Si1—Sm2—O3xvi | 106.9 (2) |
Ca1—Sm1—Ca1i | 0 | Si1—Sm2—O4 | 84.17 (16) |
Ca1—Sm1—Ca1ii | 0 | O3xiii—Sm2—O3xvi | 137.6 (4) |
Ca1—Sm1—Sm1i | 0 | O3xiii—Sm2—O4 | 104.06 (19) |
Ca1—Sm1—Sm1ii | 0 | O3xvi—Sm2—O4 | 104.06 (19) |
Ca1i—Sm1—Ca1ii | 180 | Ca1xviii—Si1—Ca1xix | 64.72 (18) |
Ca1i—Sm1—Sm1i | 0 | Ca1xviii—Si1—Ca2 | 80.82 (19) |
Ca1i—Sm1—Sm1ii | 180 | Ca1xviii—Si1—Ca2iv | 139.35 (14) |
Ca1ii—Sm1—Sm1i | 180 | Ca1xviii—Si1—Sm2 | 80.82 (19) |
Ca1ii—Sm1—Sm1ii | 0 | Ca1xviii—Si1—O1 | 136.6 (3) |
Sm1i—Sm1—Sm1ii | 180 | Ca1xviii—Si1—O2 | 47.6 (4) |
Ca1xvii—Ca2—Ca1xviii | 104.86 (6) | Ca1xviii—Si1—O3 | 110.7 (5) |
Ca1xvii—Ca2—Ca1xix | 83.96 (5) | Ca1xviii—Si1—O3ii | 60.9 (3) |
Ca1xvii—Ca2—Ca1xx | 51.05 (10) | Ca1xix—Si1—Ca2 | 80.82 (19) |
Ca1xvii—Ca2—Ca2iv | 150.54 (6) | Ca1xix—Si1—Ca2iv | 139.35 (14) |
Ca1xvii—Ca2—Ca2xi | 103.30 (5) | Ca1xix—Si1—Sm2 | 80.82 (19) |
Ca1xvii—Ca2—Ca2xii | 60.62 (8) | Ca1xix—Si1—O1 | 136.6 (3) |
Ca1xvii—Ca2—Ca2xiii | 103.49 (9) | Ca1xix—Si1—O2 | 47.6 (4) |
Ca1xvii—Ca2—Ca2viii | 96.40 (7) | Ca1xix—Si1—O3 | 60.9 (3) |
Ca1xvii—Ca2—Ca2xiv | 146.66 (9) | Ca1xix—Si1—O3ii | 110.7 (5) |
Ca1xvii—Ca2—Sm2 | 0 | Ca2—Si1—Ca2iv | 74.81 (13) |
Ca1xvii—Ca2—Sm2iv | 150.54 (6) | Ca2—Si1—Sm2 | 0 |
Ca1xvii—Ca2—Sm2xi | 103.30 (5) | Ca2—Si1—O1 | 131.6 (4) |
Ca1xvii—Ca2—Si1 | 134.58 (12) | Ca2—Si1—O2 | 116.1 (6) |
Ca1xvii—Ca2—Si1xi | 57.75 (17) | Ca2—Si1—O3 | 51.8 (3) |
Ca1xvii—Ca2—O2xv | 74.8 (4) | Ca2—Si1—O3ii | 51.8 (3) |
Ca1xvii—Ca2—O3xiii | 94.3 (3) | Ca2iv—Si1—Sm2 | 74.81 (13) |
Ca1xvii—Ca2—O3xvi | 43.3 (2) | Ca2iv—Si1—O1 | 56.8 (4) |
Ca1xvii—Ca2—O4 | 129.46 (6) | Ca2iv—Si1—O2 | 169.1 (6) |
Ca1xviii—Ca2—Ca1xix | 49.62 (9) | Ca2iv—Si1—O3 | 78.5 (3) |
Ca1xviii—Ca2—Ca1xx | 83.96 (5) | Ca2iv—Si1—O3ii | 78.5 (3) |
Ca1xviii—Ca2—Ca2iv | 99.01 (6) | Sm2—Si1—O1 | 131.6 (4) |
Ca1xviii—Ca2—Ca2xi | 148.50 (7) | Sm2—Si1—O2 | 116.1 (6) |
Ca1xviii—Ca2—Ca2xii | 146.89 (7) | Sm2—Si1—O3 | 51.8 (3) |
Ca1xviii—Ca2—Ca2xiii | 97.63 (7) | Sm2—Si1—O3ii | 51.8 (3) |
Ca1xviii—Ca2—Ca2viii | 100.57 (7) | O1—Si1—O2 | 112.3 (7) |
Ca1xviii—Ca2—Ca2xiv | 58.57 (7) | O1—Si1—O3 | 112.5 (5) |
Ca1xviii—Ca2—Sm2 | 0 | O1—Si1—O3ii | 112.5 (5) |
Ca1xviii—Ca2—Sm2iv | 99.01 (6) | O2—Si1—O3 | 107.9 (5) |
Ca1xviii—Ca2—Sm2xi | 148.50 (7) | O2—Si1—O3ii | 107.9 (5) |
Ca1xviii—Ca2—Si1 | 50.71 (12) | O3—Si1—O3ii | 103.3 (5) |
Ca1xviii—Ca2—Si1xi | 141.12 (16) | Ca1—O1—Ca1ii | 92.9 (4) |
Ca1xviii—Ca2—O2xv | 32.8 (3) | Ca1—O1—Si1 | 128.9 (3) |
Ca1xviii—Ca2—O3xiii | 69.74 (15) | Ca1ii—O1—Si1 | 128.9 (3) |
Ca1xviii—Ca2—O3xvi | 115.85 (15) | Ca2v—O2—Si1 | 124.1 (8) |
Ca1xviii—Ca2—O4 | 125.64 (9) | Ca2viii—O3—Sm2viii | 0 |
Ca1xix—Ca2—Ca1xx | 104.86 (6) | Ca2viii—O3—Si1 | 140.4 (5) |
Ca1xix—Ca2—Ca2iv | 99.01 (6) | Sm2viii—O3—Si1 | 140.4 (5) |
Ca1xix—Ca2—Ca2xi | 148.50 (7) | Ca2—O4—Ca2iv | 120.00 (9) |
Ca1xix—Ca2—Ca2xii | 97.63 (7) | Ca2—O4—Ca2xi | 120.00 (10) |
Ca1xix—Ca2—Ca2xiii | 146.89 (7) | Ca2—O4—Sm2 | 0 |
Ca1xix—Ca2—Ca2viii | 58.57 (7) | Ca2—O4—Sm2iv | 120.00 (9) |
Ca1xix—Ca2—Ca2xiv | 100.57 (7) | Ca2—O4—Sm2xi | 120.00 (10) |
Ca1xix—Ca2—Sm2 | 0 | Ca2iv—O4—Ca2xi | 120.00 (10) |
Ca1xix—Ca2—Sm2iv | 99.01 (6) | Ca2iv—O4—Sm2 | 120.00 (9) |
Ca1xix—Ca2—Sm2xi | 148.50 (7) | Ca2iv—O4—Sm2iv | 0 |
Ca1xix—Ca2—Si1 | 50.71 (12) | Ca2iv—O4—Sm2xi | 120.00 (10) |
Ca1xix—Ca2—Si1xi | 141.12 (16) | Ca2xi—O4—Sm2 | 120.00 (10) |
Ca1xix—Ca2—O2xv | 32.8 (3) | Ca2xi—O4—Sm2iv | 120.00 (10) |
Ca1xix—Ca2—O3xiii | 115.85 (15) | Ca2xi—O4—Sm2xi | 0 |
Ca1xix—Ca2—O3xvi | 69.74 (15) | Sm2—O4—Sm2iv | 120.00 (9) |
Ca1xix—Ca2—O4 | 125.64 (9) | Sm2—O4—Sm2xi | 120.00 (10) |
Ca1xx—Ca2—Ca2iv | 150.54 (6) | Sm2iv—O4—Sm2xi | 120.00 (10) |
Symmetry codes: (i) x, y, −z−1/2; (ii) x, y, −z+1/2; (iii) x, y+1, z; (iv) −y, x−y, z; (v) −x+y+1, −x+1, z; (vi) −x+1, −y+1, z−1/2; (vii) y, −x+y+1, z−1/2; (viii) x−y, x, z−1/2; (ix) −y+1, x−y+1, z; (x) −x+y, −x+1, z; (xi) −x+y, −x, z; (xii) y, −x+y, z−1/2; (xiii) y, −x+y, z+1/2; (xiv) x−y, x, z+1/2; (xv) −y+1, x−y, z; (xvi) y, −x+y, −z; (xvii) x, y−1, z; (xviii) −x+1, −y+1, z+1/2; (xix) −x+1, −y+1, −z; (xx) x, y−1, −z+1/2. |
Calcium europium silicate oxyapatite (Ca-Eu)
top Crystal data top Ca2Eu8(SiO4)6O2 | Z = 1 |
Mr = 1880.1 | Dx = 5.847 Mg m−3 |
Hexagonal, P63/m | Cu Kα radiation, λ = 1.54188 Å |
a = 9.44082 (7) Å | T = 295 K |
c = 6.91804 (6) Å | white |
V = 533.99 (1) Å3 | flat_sheet, 25 × 25 mm |
Data collection top Bruker D8 Advance diffractometer | Data collection mode: reflection |
Radiation source: sealed X-ray tube | Scan method: step |
Specimen mounting: packed powder pellet | 2θmin = 10°, 2θmax = 70°, 2θstep = 0.009° |
Refinement top Rp = 0.04 | 26 parameters |
Rwp = 0.06 | Weighting scheme based on measured s.u.'s |
Rexp = 0.03 | (Δ/σ)max = 0.032 |
RBragg = 0.03 | Background function: Chebychev |
6994 data points | Preferred orientation correction: spherical harmonic |
Profile function: pseudo-Voigt | |
Special details top Refinement. Beq were fixed as 1Å squared during refinement as they result high errors |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | Occ. (<1) |
Ca1 | 0.333333 | 0.666667 | −0.0001 (8) | 0.0127* | 0.448 |
Eu1 | 0.333333 | 0.666667 | −0.0001 (8) | 0.0127* | 0.552 |
Ca2 | 0.23307 (17) | −0.0073 (3) | 0.25 | 0.0127* | 0.035 |
Eu2 | 0.23307 (17) | −0.0073 (3) | 0.25 | 0.0127* | 0.965 |
Si1 | 0.4006 (7) | 0.3715 (8) | 0.25 | 0.0127* | |
O1 | 0.3232 (12) | 0.4867 (12) | 0.25 | 0.0127* | |
O2 | 0.5961 (13) | 0.4708 (12) | 0.25 | 0.0127* | |
O3 | 0.3387 (7) | 0.2514 (7) | 0.0667 (8) | 0.0127* | |
O4 | 0 | 0 | 0.25 | 0.0127* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
? | ? | ? | ? | ? | ? | ? |
Geometric parameters (Å, º) top Ca1—Ca1i | 3.458 (8) | Eu1—Si1vii | 3.215 (9) |
Ca1—Ca1ii | 3.460 (8) | Eu1—Si1viii | 3.215 (6) |
Ca1—Eu1 | 0 | Eu1—O1 | 2.393 (9) |
Ca1—Eu1i | 3.458 (8) | Eu1—O1ix | 2.393 (8) |
Ca1—Eu1ii | 3.460 (8) | Eu1—O1x | 2.393 (13) |
Ca1—Ca2iii | 4.035 (4) | Ca2—Ca2iv | 3.872 (5) |
Ca1—Ca2iv | 4.035 (3) | Ca2—Ca2xi | 3.872 (3) |
Ca1—Ca2v | 4.035 (4) | Ca2—Ca2xii | 4.1186 (15) |
Ca1—Ca2vi | 4.114 (3) | Ca2—Ca2xiii | 4.1186 (15) |
Ca1—Ca2vii | 4.114 (4) | Ca2—Ca2viii | 4.119 (2) |
Ca1—Ca2viii | 4.114 (3) | Ca2—Ca2xiv | 4.119 (2) |
Ca1—Eu2iii | 4.035 (4) | Ca2—Eu2 | 0 |
Ca1—Eu2iv | 4.035 (3) | Ca2—Eu2iv | 3.872 (5) |
Ca1—Eu2v | 4.035 (4) | Ca2—Eu2xi | 3.872 (3) |
Ca1—Eu2vi | 4.114 (3) | Ca2—Eu2xii | 4.1186 (15) |
Ca1—Eu2vii | 4.114 (4) | Ca2—Eu2xiii | 4.1186 (15) |
Ca1—Eu2viii | 4.114 (3) | Ca2—Eu2viii | 4.119 (2) |
Ca1—Si1vi | 3.215 (7) | Ca2—Eu2xiv | 4.119 (2) |
Ca1—Si1vii | 3.215 (9) | Ca2—Si1 | 3.104 (7) |
Ca1—Si1viii | 3.215 (6) | Ca2—Si1xi | 3.275 (6) |
Ca1—O1 | 2.393 (9) | Ca2—O2xv | 2.426 (10) |
Ca1—O1ix | 2.393 (8) | Ca2—O3xiii | 2.352 (6) |
Ca1—O1x | 2.393 (13) | Ca2—O3xvi | 2.352 (6) |
Ca1—O2vi | 2.446 (11) | Ca2—O4 | 2.236 (2) |
Ca1—O2vii | 2.446 (10) | Eu2—Eu2iv | 3.872 (5) |
Ca1—O2viii | 2.446 (12) | Eu2—Eu2xi | 3.872 (3) |
Eu1—Eu1i | 3.458 (8) | Eu2—Eu2xii | 4.1186 (15) |
Eu1—Eu1ii | 3.460 (8) | Eu2—Eu2xiii | 4.1186 (15) |
Eu1—Ca2iii | 4.035 (4) | Eu2—Eu2viii | 4.119 (2) |
Eu1—Ca2iv | 4.035 (3) | Eu2—Eu2xiv | 4.119 (2) |
Eu1—Ca2v | 4.035 (4) | Eu2—Si1 | 3.104 (7) |
Eu1—Ca2vi | 4.114 (3) | Eu2—Si1xi | 3.275 (6) |
Eu1—Ca2vii | 4.114 (4) | Eu2—O2xv | 2.426 (10) |
Eu1—Ca2viii | 4.114 (3) | Eu2—O3xiii | 2.352 (6) |
Eu1—Eu2iii | 4.035 (4) | Eu2—O3xvi | 2.352 (6) |
Eu1—Eu2iv | 4.035 (3) | Eu2—O4 | 2.236 (2) |
Eu1—Eu2v | 4.035 (4) | Si1—O1 | 1.585 (16) |
Eu1—Eu2vi | 4.114 (3) | Si1—O2 | 1.598 (12) |
Eu1—Eu2vii | 4.114 (4) | Si1—O3 | 1.604 (7) |
Eu1—Eu2viii | 4.114 (3) | Si1—O3ii | 1.604 (7) |
Eu1—Si1vi | 3.215 (7) | | |
| | | |
Ca1i—Ca1—Ca1ii | 180 | Eu1xvii—Ca2—Si1 | 134.45 (12) |
Ca1i—Ca1—Eu1 | 0 | Eu1xvii—Ca2—Si1xi | 57.83 (17) |
Ca1i—Ca1—Eu1i | 0 | Eu1xvii—Ca2—O2xv | 75.2 (4) |
Ca1i—Ca1—Eu1ii | 180 | Eu1xvii—Ca2—O3xiii | 94.1 (3) |
Ca1i—Ca1—Ca2iii | 115.39 (7) | Eu1xvii—Ca2—O3xvi | 43.3 (3) |
Ca1i—Ca1—Ca2iv | 115.39 (7) | Eu1xvii—Ca2—O4 | 129.31 (6) |
Ca1i—Ca1—Ca2v | 115.39 (7) | Eu1xviii—Ca2—Eu1xix | 49.70 (10) |
Ca1i—Ca1—Ca2vi | 65.15 (7) | Eu1xviii—Ca2—Eu1xx | 83.96 (5) |
Ca1i—Ca1—Ca2vii | 65.15 (7) | Eu1xviii—Ca2—Ca2iv | 99.26 (6) |
Ca1i—Ca1—Ca2viii | 65.15 (7) | Eu1xviii—Ca2—Ca2xi | 148.63 (8) |
Ca1i—Ca1—Eu2iii | 115.39 (7) | Eu1xviii—Ca2—Ca2xii | 146.90 (8) |
Ca1i—Ca1—Eu2iv | 115.39 (7) | Eu1xviii—Ca2—Ca2xiii | 97.57 (7) |
Ca1i—Ca1—Eu2v | 115.39 (7) | Eu1xviii—Ca2—Ca2viii | 100.73 (8) |
Ca1i—Ca1—Eu2vi | 65.15 (7) | Eu1xviii—Ca2—Ca2xiv | 58.69 (7) |
Ca1i—Ca1—Eu2vii | 65.15 (7) | Eu1xviii—Ca2—Eu2 | 0 |
Ca1i—Ca1—Eu2viii | 65.15 (7) | Eu1xviii—Ca2—Eu2iv | 99.26 (6) |
Ca1i—Ca1—Si1vi | 57.47 (11) | Eu1xviii—Ca2—Eu2xi | 148.63 (8) |
Ca1i—Ca1—Si1vii | 57.47 (13) | Eu1xviii—Ca2—Eu2xii | 146.90 (8) |
Ca1i—Ca1—Si1viii | 57.47 (10) | Eu1xviii—Ca2—Eu2xiii | 97.57 (7) |
Ca1i—Ca1—O1 | 136.3 (2) | Eu1xviii—Ca2—Eu2viii | 100.73 (8) |
Ca1i—Ca1—O1ix | 136.30 (19) | Eu1xviii—Ca2—Eu2xiv | 58.69 (7) |
Ca1i—Ca1—O1x | 136.3 (3) | Eu1xviii—Ca2—Si1 | 50.56 (12) |
Ca1i—Ca1—O2vi | 45.0 (3) | Eu1xviii—Ca2—Si1xi | 141.16 (16) |
Ca1i—Ca1—O2vii | 45.0 (2) | Eu1xviii—Ca2—O2xv | 32.5 (3) |
Ca1i—Ca1—O2viii | 45.0 (3) | Eu1xviii—Ca2—O3xiii | 69.84 (15) |
Ca1ii—Ca1—Eu1 | 0 | Eu1xviii—Ca2—O3xvi | 116.00 (15) |
Ca1ii—Ca1—Eu1i | 180 | Eu1xviii—Ca2—O4 | 125.87 (9) |
Ca1ii—Ca1—Eu1ii | 0 | Eu1xix—Ca2—Eu1xx | 104.79 (6) |
Ca1ii—Ca1—Ca2iii | 64.61 (7) | Eu1xix—Ca2—Ca2iv | 99.26 (6) |
Ca1ii—Ca1—Ca2iv | 64.61 (7) | Eu1xix—Ca2—Ca2xi | 148.63 (8) |
Ca1ii—Ca1—Ca2v | 64.61 (7) | Eu1xix—Ca2—Ca2xii | 97.57 (7) |
Ca1ii—Ca1—Ca2vi | 114.85 (7) | Eu1xix—Ca2—Ca2xiii | 146.90 (8) |
Ca1ii—Ca1—Ca2vii | 114.85 (7) | Eu1xix—Ca2—Ca2viii | 58.69 (7) |
Ca1ii—Ca1—Ca2viii | 114.85 (7) | Eu1xix—Ca2—Ca2xiv | 100.73 (8) |
Ca1ii—Ca1—Eu2iii | 64.61 (7) | Eu1xix—Ca2—Eu2 | 0 |
Ca1ii—Ca1—Eu2iv | 64.61 (7) | Eu1xix—Ca2—Eu2iv | 99.26 (6) |
Ca1ii—Ca1—Eu2v | 64.61 (7) | Eu1xix—Ca2—Eu2xi | 148.63 (8) |
Ca1ii—Ca1—Eu2vi | 114.85 (7) | Eu1xix—Ca2—Eu2xii | 97.57 (7) |
Ca1ii—Ca1—Eu2vii | 114.85 (7) | Eu1xix—Ca2—Eu2xiii | 146.90 (8) |
Ca1ii—Ca1—Eu2viii | 114.85 (7) | Eu1xix—Ca2—Eu2viii | 58.69 (7) |
Ca1ii—Ca1—Si1vi | 122.53 (11) | Eu1xix—Ca2—Eu2xiv | 100.73 (8) |
Ca1ii—Ca1—Si1vii | 122.53 (13) | Eu1xix—Ca2—Si1 | 50.56 (12) |
Ca1ii—Ca1—Si1viii | 122.53 (10) | Eu1xix—Ca2—Si1xi | 141.16 (16) |
Ca1ii—Ca1—O1 | 43.7 (2) | Eu1xix—Ca2—O2xv | 32.5 (3) |
Ca1ii—Ca1—O1ix | 43.70 (19) | Eu1xix—Ca2—O3xiii | 116.00 (15) |
Ca1ii—Ca1—O1x | 43.7 (3) | Eu1xix—Ca2—O3xvi | 69.84 (15) |
Ca1ii—Ca1—O2vi | 135.0 (3) | Eu1xix—Ca2—O4 | 125.87 (9) |
Ca1ii—Ca1—O2vii | 135.0 (2) | Eu1xx—Ca2—Ca2iv | 150.53 (7) |
Ca1ii—Ca1—O2viii | 135.0 (3) | Eu1xx—Ca2—Ca2xi | 103.10 (5) |
Eu1—Ca1—Eu1i | 0 | Eu1xx—Ca2—Ca2xii | 103.26 (10) |
Eu1—Ca1—Eu1ii | 0 | Eu1xx—Ca2—Ca2xiii | 60.59 (8) |
Eu1—Ca1—Ca2iii | 0 | Eu1xx—Ca2—Ca2viii | 146.60 (9) |
Eu1—Ca1—Ca2iv | 0 | Eu1xx—Ca2—Ca2xiv | 96.58 (8) |
Eu1—Ca1—Ca2v | 0 | Eu1xx—Ca2—Eu2 | 0 |
Eu1—Ca1—Ca2vi | 0 | Eu1xx—Ca2—Eu2iv | 150.53 (7) |
Eu1—Ca1—Ca2vii | 0 | Eu1xx—Ca2—Eu2xi | 103.10 (5) |
Eu1—Ca1—Ca2viii | 0 | Eu1xx—Ca2—Eu2xii | 103.26 (10) |
Eu1—Ca1—Eu2iii | 0 | Eu1xx—Ca2—Eu2xiii | 60.59 (8) |
Eu1—Ca1—Eu2iv | 0 | Eu1xx—Ca2—Eu2viii | 146.60 (9) |
Eu1—Ca1—Eu2v | 0 | Eu1xx—Ca2—Eu2xiv | 96.58 (8) |
Eu1—Ca1—Eu2vi | 0 | Eu1xx—Ca2—Si1 | 134.45 (12) |
Eu1—Ca1—Eu2vii | 0 | Eu1xx—Ca2—Si1xi | 57.83 (17) |
Eu1—Ca1—Eu2viii | 0 | Eu1xx—Ca2—O2xv | 75.2 (4) |
Eu1—Ca1—Si1vi | 0 | Eu1xx—Ca2—O3xiii | 43.3 (3) |
Eu1—Ca1—Si1vii | 0 | Eu1xx—Ca2—O3xvi | 94.1 (3) |
Eu1—Ca1—Si1viii | 0 | Eu1xx—Ca2—O4 | 129.31 (6) |
Eu1—Ca1—O1 | 0 | Ca2iv—Ca2—Ca2xi | 60.00 (6) |
Eu1—Ca1—O1ix | 0 | Ca2iv—Ca2—Ca2xii | 90.00 (7) |
Eu1—Ca1—O1x | 0 | Ca2iv—Ca2—Ca2xiii | 90.00 (7) |
Eu1—Ca1—O2vi | 0 | Ca2iv—Ca2—Ca2viii | 61.96 (6) |
Eu1—Ca1—O2vii | 0 | Ca2iv—Ca2—Ca2xiv | 61.96 (6) |
Eu1—Ca1—O2viii | 0 | Ca2iv—Ca2—Eu2 | 0 |
Eu1i—Ca1—Eu1ii | 180 | Ca2iv—Ca2—Eu2iv | 0 |
Eu1i—Ca1—Ca2iii | 115.39 (7) | Ca2iv—Ca2—Eu2xi | 60.00 (6) |
Eu1i—Ca1—Ca2iv | 115.39 (7) | Ca2iv—Ca2—Eu2xii | 90.00 (7) |
Eu1i—Ca1—Ca2v | 115.39 (7) | Ca2iv—Ca2—Eu2xiii | 90.00 (7) |
Eu1i—Ca1—Ca2vi | 65.15 (7) | Ca2iv—Ca2—Eu2viii | 61.96 (6) |
Eu1i—Ca1—Ca2vii | 65.15 (7) | Ca2iv—Ca2—Eu2xiv | 61.96 (6) |
Eu1i—Ca1—Ca2viii | 65.15 (7) | Ca2iv—Ca2—Si1 | 54.66 (15) |
Eu1i—Ca1—Eu2iii | 115.39 (7) | Ca2iv—Ca2—Si1xi | 110.6 (2) |
Eu1i—Ca1—Eu2iv | 115.39 (7) | Ca2iv—Ca2—O2xv | 121.9 (4) |
Eu1i—Ca1—Eu2v | 115.39 (7) | Ca2iv—Ca2—O3xiii | 110.2 (2) |
Eu1i—Ca1—Eu2vi | 65.15 (7) | Ca2iv—Ca2—O3xvi | 110.2 (2) |
Eu1i—Ca1—Eu2vii | 65.15 (7) | Ca2iv—Ca2—O4 | 30.00 (5) |
Eu1i—Ca1—Eu2viii | 65.15 (7) | Ca2xi—Ca2—Ca2xii | 61.96 (4) |
Eu1i—Ca1—Si1vi | 57.47 (11) | Ca2xi—Ca2—Ca2xiii | 61.96 (4) |
Eu1i—Ca1—Si1vii | 57.47 (13) | Ca2xi—Ca2—Ca2viii | 90.00 (6) |
Eu1i—Ca1—Si1viii | 57.47 (10) | Ca2xi—Ca2—Ca2xiv | 90.00 (6) |
Eu1i—Ca1—O1 | 136.3 (2) | Ca2xi—Ca2—Eu2 | 0 |
Eu1i—Ca1—O1ix | 136.30 (19) | Ca2xi—Ca2—Eu2iv | 60.00 (6) |
Eu1i—Ca1—O1x | 136.3 (3) | Ca2xi—Ca2—Eu2xi | 0 |
Eu1i—Ca1—O2vi | 45.0 (3) | Ca2xi—Ca2—Eu2xii | 61.96 (4) |
Eu1i—Ca1—O2vii | 45.0 (2) | Ca2xi—Ca2—Eu2xiii | 61.96 (4) |
Eu1i—Ca1—O2viii | 45.0 (3) | Ca2xi—Ca2—Eu2viii | 90.00 (6) |
Eu1ii—Ca1—Ca2iii | 64.61 (7) | Ca2xi—Ca2—Eu2xiv | 90.00 (6) |
Eu1ii—Ca1—Ca2iv | 64.61 (7) | Ca2xi—Ca2—Si1 | 114.66 (16) |
Eu1ii—Ca1—Ca2v | 64.61 (7) | Ca2xi—Ca2—Si1xi | 50.64 (19) |
Eu1ii—Ca1—Ca2vi | 114.85 (7) | Ca2xi—Ca2—O2xv | 178.1 (4) |
Eu1ii—Ca1—Ca2vii | 114.85 (7) | Ca2xi—Ca2—O3xiii | 94.20 (14) |
Eu1ii—Ca1—Ca2viii | 114.85 (7) | Ca2xi—Ca2—O3xvi | 94.20 (14) |
Eu1ii—Ca1—Eu2iii | 64.61 (7) | Ca2xi—Ca2—O4 | 30.00 (4) |
Eu1ii—Ca1—Eu2iv | 64.61 (7) | Ca2xii—Ca2—Ca2xiii | 114.25 (5) |
Eu1ii—Ca1—Eu2v | 64.61 (7) | Ca2xii—Ca2—Ca2viii | 56.08 (4) |
Eu1ii—Ca1—Eu2vi | 114.85 (7) | Ca2xii—Ca2—Ca2xiv | 148.50 (9) |
Eu1ii—Ca1—Eu2vii | 114.85 (7) | Ca2xii—Ca2—Eu2 | 0 |
Eu1ii—Ca1—Eu2viii | 114.85 (7) | Ca2xii—Ca2—Eu2iv | 90.00 (7) |
Eu1ii—Ca1—Si1vi | 122.53 (11) | Ca2xii—Ca2—Eu2xi | 61.96 (4) |
Eu1ii—Ca1—Si1vii | 122.53 (13) | Ca2xii—Ca2—Eu2xii | 0 |
Eu1ii—Ca1—Si1viii | 122.53 (10) | Ca2xii—Ca2—Eu2xiii | 114.25 (5) |
Eu1ii—Ca1—O1 | 43.7 (2) | Ca2xii—Ca2—Eu2viii | 56.08 (4) |
Eu1ii—Ca1—O1ix | 43.70 (19) | Ca2xii—Ca2—Eu2xiv | 148.50 (9) |
Eu1ii—Ca1—O1x | 43.7 (3) | Ca2xii—Ca2—Si1 | 116.28 (8) |
Eu1ii—Ca1—O2vi | 135.0 (3) | Ca2xii—Ca2—Si1xi | 59.47 (6) |
Eu1ii—Ca1—O2vii | 135.0 (2) | Ca2xii—Ca2—O2xv | 117.43 (14) |
Eu1ii—Ca1—O2viii | 135.0 (3) | Ca2xii—Ca2—O3xiii | 136.1 (2) |
Ca2iii—Ca1—Ca2iv | 102.95 (10) | Ca2xii—Ca2—O3xvi | 32.37 (15) |
Ca2iii—Ca1—Ca2v | 102.95 (9) | Ca2xii—Ca2—O4 | 74.25 (5) |
Ca2iii—Ca1—Ca2vi | 96.04 (4) | Ca2xiii—Ca2—Ca2viii | 148.50 (9) |
Ca2iii—Ca1—Ca2vii | 60.71 (4) | Ca2xiii—Ca2—Ca2xiv | 56.08 (4) |
Ca2iii—Ca1—Ca2viii | 157.62 (5) | Ca2xiii—Ca2—Eu2 | 0 |
Ca2iii—Ca1—Eu2iii | 0 | Ca2xiii—Ca2—Eu2iv | 90.00 (7) |
Ca2iii—Ca1—Eu2iv | 102.95 (10) | Ca2xiii—Ca2—Eu2xi | 61.96 (4) |
Ca2iii—Ca1—Eu2v | 102.95 (9) | Ca2xiii—Ca2—Eu2xii | 114.25 (5) |
Ca2iii—Ca1—Eu2vi | 96.04 (4) | Ca2xiii—Ca2—Eu2xiii | 0 |
Ca2iii—Ca1—Eu2vii | 60.71 (4) | Ca2xiii—Ca2—Eu2viii | 148.50 (9) |
Ca2iii—Ca1—Eu2viii | 157.62 (5) | Ca2xiii—Ca2—Eu2xiv | 56.08 (4) |
Ca2iii—Ca1—Si1vi | 144.17 (11) | Ca2xiii—Ca2—Si1 | 116.28 (8) |
Ca2iii—Ca1—Si1vii | 60.87 (12) | Ca2xiii—Ca2—Si1xi | 59.47 (6) |
Ca2iii—Ca1—Si1viii | 111.59 (18) | Ca2xiii—Ca2—O2xv | 117.43 (14) |
Ca2iii—Ca1—O1 | 106.9 (3) | Ca2xiii—Ca2—O3xiii | 32.37 (15) |
Ca2iii—Ca1—O1ix | 62.5 (4) | Ca2xiii—Ca2—O3xvi | 136.1 (2) |
Ca2iii—Ca1—O1x | 40.7 (3) | Ca2xiii—Ca2—O4 | 74.25 (5) |
Ca2iii—Ca1—O2vi | 159.7 (3) | Ca2viii—Ca2—Ca2xiv | 114.25 (8) |
Ca2iii—Ca1—O2vii | 85.6 (4) | Ca2viii—Ca2—Eu2 | 0 |
Ca2iii—Ca1—O2viii | 92.8 (4) | Ca2viii—Ca2—Eu2iv | 61.96 (6) |
Ca2iv—Ca1—Ca2v | 102.95 (9) | Ca2viii—Ca2—Eu2xi | 90.00 (6) |
Ca2iv—Ca1—Ca2vi | 157.62 (7) | Ca2viii—Ca2—Eu2xii | 56.08 (4) |
Ca2iv—Ca1—Ca2vii | 96.04 (5) | Ca2viii—Ca2—Eu2xiii | 148.50 (9) |
Ca2iv—Ca1—Ca2viii | 60.71 (4) | Ca2viii—Ca2—Eu2viii | 0 |
Ca2iv—Ca1—Eu2iii | 102.95 (10) | Ca2viii—Ca2—Eu2xiv | 114.25 (8) |
Ca2iv—Ca1—Eu2iv | 0 | Ca2viii—Ca2—Si1 | 60.44 (5) |
Ca2iv—Ca1—Eu2v | 102.95 (9) | Ca2viii—Ca2—Si1xi | 114.82 (8) |
Ca2iv—Ca1—Eu2vi | 157.62 (7) | Ca2viii—Ca2—O2xv | 91.0 (2) |
Ca2iv—Ca1—Eu2vii | 96.04 (5) | Ca2viii—Ca2—O3xiii | 167.3 (2) |
Ca2iv—Ca1—Eu2viii | 60.71 (4) | Ca2viii—Ca2—O3xvi | 53.9 (2) |
Ca2iv—Ca1—Si1vi | 111.59 (13) | Ca2viii—Ca2—O4 | 74.25 (7) |
Ca2iv—Ca1—Si1vii | 144.17 (14) | Ca2xiv—Ca2—Eu2 | 0 |
Ca2iv—Ca1—Si1viii | 60.87 (6) | Ca2xiv—Ca2—Eu2iv | 61.96 (6) |
Ca2iv—Ca1—O1 | 40.7 (2) | Ca2xiv—Ca2—Eu2xi | 90.00 (6) |
Ca2iv—Ca1—O1ix | 106.9 (3) | Ca2xiv—Ca2—Eu2xii | 148.50 (9) |
Ca2iv—Ca1—O1x | 62.5 (3) | Ca2xiv—Ca2—Eu2xiii | 56.08 (4) |
Ca2iv—Ca1—O2vi | 92.76 (19) | Ca2xiv—Ca2—Eu2viii | 114.25 (8) |
Ca2iv—Ca1—O2vii | 159.7 (2) | Ca2xiv—Ca2—Eu2xiv | 0 |
Ca2iv—Ca1—O2viii | 85.6 (2) | Ca2xiv—Ca2—Si1 | 60.44 (5) |
Ca2v—Ca1—Ca2vi | 60.71 (3) | Ca2xiv—Ca2—Si1xi | 114.82 (8) |
Ca2v—Ca1—Ca2vii | 157.62 (4) | Ca2xiv—Ca2—O2xv | 91.0 (2) |
Ca2v—Ca1—Ca2viii | 96.04 (5) | Ca2xiv—Ca2—O3xiii | 53.9 (2) |
Ca2v—Ca1—Eu2iii | 102.95 (9) | Ca2xiv—Ca2—O3xvi | 167.3 (2) |
Ca2v—Ca1—Eu2iv | 102.95 (9) | Ca2xiv—Ca2—O4 | 74.25 (7) |
Ca2v—Ca1—Eu2v | 0 | Eu2—Ca2—Eu2iv | 0 |
Ca2v—Ca1—Eu2vi | 60.71 (3) | Eu2—Ca2—Eu2xi | 0 |
Ca2v—Ca1—Eu2vii | 157.62 (4) | Eu2—Ca2—Eu2xii | 0 |
Ca2v—Ca1—Eu2viii | 96.04 (5) | Eu2—Ca2—Eu2xiii | 0 |
Ca2v—Ca1—Si1vi | 60.87 (7) | Eu2—Ca2—Eu2viii | 0 |
Ca2v—Ca1—Si1vii | 111.59 (11) | Eu2—Ca2—Eu2xiv | 0 |
Ca2v—Ca1—Si1viii | 144.17 (18) | Eu2—Ca2—Si1 | 0 |
Ca2v—Ca1—O1 | 62.5 (2) | Eu2—Ca2—Si1xi | 0 |
Ca2v—Ca1—O1ix | 40.7 (4) | Eu2—Ca2—O2xv | 0 |
Ca2v—Ca1—O1x | 106.9 (3) | Eu2—Ca2—O3xiii | 0 |
Ca2v—Ca1—O2vi | 85.6 (2) | Eu2—Ca2—O3xvi | 0 |
Ca2v—Ca1—O2vii | 92.8 (3) | Eu2—Ca2—O4 | 0 |
Ca2v—Ca1—O2viii | 159.7 (3) | Eu2iv—Ca2—Eu2xi | 60.00 (6) |
Ca2vi—Ca1—Ca2vii | 103.60 (9) | Eu2iv—Ca2—Eu2xii | 90.00 (7) |
Ca2vi—Ca1—Ca2viii | 103.60 (9) | Eu2iv—Ca2—Eu2xiii | 90.00 (7) |
Ca2vi—Ca1—Eu2iii | 96.04 (4) | Eu2iv—Ca2—Eu2viii | 61.96 (6) |
Ca2vi—Ca1—Eu2iv | 157.62 (7) | Eu2iv—Ca2—Eu2xiv | 61.96 (6) |
Ca2vi—Ca1—Eu2v | 60.71 (3) | Eu2iv—Ca2—Si1 | 54.66 (15) |
Ca2vi—Ca1—Eu2vi | 0 | Eu2iv—Ca2—Si1xi | 110.6 (2) |
Ca2vi—Ca1—Eu2vii | 103.60 (9) | Eu2iv—Ca2—O2xv | 121.9 (4) |
Ca2vi—Ca1—Eu2viii | 103.60 (9) | Eu2iv—Ca2—O3xiii | 110.2 (2) |
Ca2vi—Ca1—Si1vi | 48.22 (12) | Eu2iv—Ca2—O3xvi | 110.2 (2) |
Ca2vi—Ca1—Si1vii | 56.79 (14) | Eu2iv—Ca2—O4 | 30.00 (5) |
Ca2vi—Ca1—Si1viii | 122.41 (17) | Eu2xi—Ca2—Eu2xii | 61.96 (4) |
Ca2vi—Ca1—O1 | 122.0 (3) | Eu2xi—Ca2—Eu2xiii | 61.96 (4) |
Ca2vi—Ca1—O1ix | 71.61 (16) | Eu2xi—Ca2—Eu2viii | 90.00 (6) |
Ca2vi—Ca1—O1x | 134.2 (2) | Eu2xi—Ca2—Eu2xiv | 90.00 (6) |
Ca2vi—Ca1—O2vi | 71.9 (2) | Eu2xi—Ca2—Si1 | 114.66 (16) |
Ca2vi—Ca1—O2vii | 32.2 (3) | Eu2xi—Ca2—Si1xi | 50.64 (19) |
Ca2vi—Ca1—O2viii | 105.4 (2) | Eu2xi—Ca2—O2xv | 178.1 (4) |
Ca2vii—Ca1—Ca2viii | 103.60 (10) | Eu2xi—Ca2—O3xiii | 94.20 (14) |
Ca2vii—Ca1—Eu2iii | 60.71 (4) | Eu2xi—Ca2—O3xvi | 94.20 (14) |
Ca2vii—Ca1—Eu2iv | 96.04 (5) | Eu2xi—Ca2—O4 | 30.00 (4) |
Ca2vii—Ca1—Eu2v | 157.62 (4) | Eu2xii—Ca2—Eu2xiii | 114.25 (5) |
Ca2vii—Ca1—Eu2vi | 103.60 (9) | Eu2xii—Ca2—Eu2viii | 56.08 (4) |
Ca2vii—Ca1—Eu2vii | 0 | Eu2xii—Ca2—Eu2xiv | 148.50 (9) |
Ca2vii—Ca1—Eu2viii | 103.60 (10) | Eu2xii—Ca2—Si1 | 116.28 (8) |
Ca2vii—Ca1—Si1vi | 122.41 (17) | Eu2xii—Ca2—Si1xi | 59.47 (6) |
Ca2vii—Ca1—Si1vii | 48.22 (13) | Eu2xii—Ca2—O2xv | 117.43 (14) |
Ca2vii—Ca1—Si1viii | 56.79 (18) | Eu2xii—Ca2—O3xiii | 136.1 (2) |
Ca2vii—Ca1—O1 | 134.2 (3) | Eu2xii—Ca2—O3xvi | 32.37 (15) |
Ca2vii—Ca1—O1ix | 122.0 (4) | Eu2xii—Ca2—O4 | 74.25 (5) |
Ca2vii—Ca1—O1x | 71.6 (3) | Eu2xiii—Ca2—Eu2viii | 148.50 (9) |
Ca2vii—Ca1—O2vi | 105.4 (3) | Eu2xiii—Ca2—Eu2xiv | 56.08 (4) |
Ca2vii—Ca1—O2vii | 71.9 (3) | Eu2xiii—Ca2—Si1 | 116.28 (8) |
Ca2vii—Ca1—O2viii | 32.2 (4) | Eu2xiii—Ca2—Si1xi | 59.47 (6) |
Ca2viii—Ca1—Eu2iii | 157.62 (5) | Eu2xiii—Ca2—O2xv | 117.43 (14) |
Ca2viii—Ca1—Eu2iv | 60.71 (4) | Eu2xiii—Ca2—O3xiii | 32.37 (15) |
Ca2viii—Ca1—Eu2v | 96.04 (5) | Eu2xiii—Ca2—O3xvi | 136.1 (2) |
Ca2viii—Ca1—Eu2vi | 103.60 (9) | Eu2xiii—Ca2—O4 | 74.25 (5) |
Ca2viii—Ca1—Eu2vii | 103.60 (10) | Eu2viii—Ca2—Eu2xiv | 114.25 (8) |
Ca2viii—Ca1—Eu2viii | 0 | Eu2viii—Ca2—Si1 | 60.44 (5) |
Ca2viii—Ca1—Si1vi | 56.79 (12) | Eu2viii—Ca2—Si1xi | 114.82 (8) |
Ca2viii—Ca1—Si1vii | 122.41 (18) | Eu2viii—Ca2—O2xv | 91.0 (2) |
Ca2viii—Ca1—Si1viii | 48.22 (19) | Eu2viii—Ca2—O3xiii | 167.3 (2) |
Ca2viii—Ca1—O1 | 71.6 (2) | Eu2viii—Ca2—O3xvi | 53.9 (2) |
Ca2viii—Ca1—O1ix | 134.2 (4) | Eu2viii—Ca2—O4 | 74.25 (7) |
Ca2viii—Ca1—O1x | 122.0 (2) | Eu2xiv—Ca2—Si1 | 60.44 (5) |
Ca2viii—Ca1—O2vi | 32.23 (19) | Eu2xiv—Ca2—Si1xi | 114.82 (8) |
Ca2viii—Ca1—O2vii | 105.4 (3) | Eu2xiv—Ca2—O2xv | 91.0 (2) |
Ca2viii—Ca1—O2viii | 71.9 (4) | Eu2xiv—Ca2—O3xiii | 53.9 (2) |
Eu2iii—Ca1—Eu2iv | 102.95 (10) | Eu2xiv—Ca2—O3xvi | 167.3 (2) |
Eu2iii—Ca1—Eu2v | 102.95 (9) | Eu2xiv—Ca2—O4 | 74.25 (7) |
Eu2iii—Ca1—Eu2vi | 96.04 (4) | Si1—Ca2—Si1xi | 165.3 (2) |
Eu2iii—Ca1—Eu2vii | 60.71 (4) | Si1—Ca2—O2xv | 67.3 (4) |
Eu2iii—Ca1—Eu2viii | 157.62 (5) | Si1—Ca2—O3xiii | 107.0 (2) |
Eu2iii—Ca1—Si1vi | 144.17 (11) | Si1—Ca2—O3xvi | 107.0 (2) |
Eu2iii—Ca1—Si1vii | 60.87 (12) | Si1—Ca2—O4 | 84.66 (16) |
Eu2iii—Ca1—Si1viii | 111.59 (18) | Si1xi—Ca2—O2xv | 127.4 (5) |
Eu2iii—Ca1—O1 | 106.9 (3) | Si1xi—Ca2—O3xiii | 76.77 (18) |
Eu2iii—Ca1—O1ix | 62.5 (4) | Si1xi—Ca2—O3xvi | 76.77 (18) |
Eu2iii—Ca1—O1x | 40.7 (3) | Si1xi—Ca2—O4 | 80.64 (19) |
Eu2iii—Ca1—O2vi | 159.7 (3) | O2xv—Ca2—O3xiii | 85.1 (2) |
Eu2iii—Ca1—O2vii | 85.6 (4) | O2xv—Ca2—O3xvi | 85.1 (2) |
Eu2iii—Ca1—O2viii | 92.8 (4) | O2xv—Ca2—O4 | 151.9 (4) |
Eu2iv—Ca1—Eu2v | 102.95 (9) | O3xiii—Ca2—O3xvi | 137.4 (4) |
Eu2iv—Ca1—Eu2vi | 157.62 (7) | O3xiii—Ca2—O4 | 103.97 (19) |
Eu2iv—Ca1—Eu2vii | 96.04 (5) | O3xvi—Ca2—O4 | 103.97 (19) |
Eu2iv—Ca1—Eu2viii | 60.71 (4) | Ca1xvii—Eu2—Ca1xviii | 104.79 (6) |
Eu2iv—Ca1—Si1vi | 111.59 (13) | Ca1xvii—Eu2—Ca1xix | 83.96 (5) |
Eu2iv—Ca1—Si1vii | 144.17 (14) | Ca1xvii—Eu2—Ca1xx | 50.79 (11) |
Eu2iv—Ca1—Si1viii | 60.87 (6) | Ca1xvii—Eu2—Eu1xvii | 0 |
Eu2iv—Ca1—O1 | 40.7 (2) | Ca1xvii—Eu2—Eu1xviii | 104.79 (6) |
Eu2iv—Ca1—O1ix | 106.9 (3) | Ca1xvii—Eu2—Eu1xix | 83.96 (5) |
Eu2iv—Ca1—O1x | 62.5 (3) | Ca1xvii—Eu2—Eu1xx | 50.79 (11) |
Eu2iv—Ca1—O2vi | 92.76 (19) | Ca1xvii—Eu2—Ca2 | 0 |
Eu2iv—Ca1—O2vii | 159.7 (2) | Ca1xvii—Eu2—Ca2iv | 150.53 (7) |
Eu2iv—Ca1—O2viii | 85.6 (2) | Ca1xvii—Eu2—Ca2xi | 103.10 (5) |
Eu2v—Ca1—Eu2vi | 60.71 (3) | Ca1xvii—Eu2—Ca2xii | 60.59 (8) |
Eu2v—Ca1—Eu2vii | 157.62 (4) | Ca1xvii—Eu2—Ca2xiii | 103.26 (10) |
Eu2v—Ca1—Eu2viii | 96.04 (5) | Ca1xvii—Eu2—Ca2viii | 96.58 (8) |
Eu2v—Ca1—Si1vi | 60.87 (7) | Ca1xvii—Eu2—Ca2xiv | 146.60 (9) |
Eu2v—Ca1—Si1vii | 111.59 (11) | Ca1xvii—Eu2—Eu2iv | 150.53 (7) |
Eu2v—Ca1—Si1viii | 144.17 (18) | Ca1xvii—Eu2—Eu2xi | 103.10 (5) |
Eu2v—Ca1—O1 | 62.5 (2) | Ca1xvii—Eu2—Eu2xii | 60.59 (8) |
Eu2v—Ca1—O1ix | 40.7 (4) | Ca1xvii—Eu2—Eu2xiii | 103.26 (10) |
Eu2v—Ca1—O1x | 106.9 (3) | Ca1xvii—Eu2—Eu2viii | 96.58 (8) |
Eu2v—Ca1—O2vi | 85.6 (2) | Ca1xvii—Eu2—Eu2xiv | 146.60 (9) |
Eu2v—Ca1—O2vii | 92.8 (3) | Ca1xvii—Eu2—Si1 | 134.45 (12) |
Eu2v—Ca1—O2viii | 159.7 (3) | Ca1xvii—Eu2—Si1xi | 57.83 (17) |
Eu2vi—Ca1—Eu2vii | 103.60 (9) | Ca1xvii—Eu2—O2xv | 75.2 (4) |
Eu2vi—Ca1—Eu2viii | 103.60 (9) | Ca1xvii—Eu2—O3xiii | 94.1 (3) |
Eu2vi—Ca1—Si1vi | 48.22 (12) | Ca1xvii—Eu2—O3xvi | 43.3 (3) |
Eu2vi—Ca1—Si1vii | 56.79 (14) | Ca1xvii—Eu2—O4 | 129.31 (6) |
Eu2vi—Ca1—Si1viii | 122.41 (17) | Ca1xviii—Eu2—Ca1xix | 49.70 (10) |
Eu2vi—Ca1—O1 | 122.0 (3) | Ca1xviii—Eu2—Ca1xx | 83.96 (5) |
Eu2vi—Ca1—O1ix | 71.61 (16) | Ca1xviii—Eu2—Eu1xvii | 104.79 (6) |
Eu2vi—Ca1—O1x | 134.2 (2) | Ca1xviii—Eu2—Eu1xviii | 0 |
Eu2vi—Ca1—O2vi | 71.9 (2) | Ca1xviii—Eu2—Eu1xix | 49.70 (10) |
Eu2vi—Ca1—O2vii | 32.2 (3) | Ca1xviii—Eu2—Eu1xx | 83.96 (5) |
Eu2vi—Ca1—O2viii | 105.4 (2) | Ca1xviii—Eu2—Ca2 | 0 |
Eu2vii—Ca1—Eu2viii | 103.60 (10) | Ca1xviii—Eu2—Ca2iv | 99.26 (6) |
Eu2vii—Ca1—Si1vi | 122.41 (17) | Ca1xviii—Eu2—Ca2xi | 148.63 (8) |
Eu2vii—Ca1—Si1vii | 48.22 (13) | Ca1xviii—Eu2—Ca2xii | 146.90 (8) |
Eu2vii—Ca1—Si1viii | 56.79 (18) | Ca1xviii—Eu2—Ca2xiii | 97.57 (7) |
Eu2vii—Ca1—O1 | 134.2 (3) | Ca1xviii—Eu2—Ca2viii | 100.73 (8) |
Eu2vii—Ca1—O1ix | 122.0 (4) | Ca1xviii—Eu2—Ca2xiv | 58.69 (7) |
Eu2vii—Ca1—O1x | 71.6 (3) | Ca1xviii—Eu2—Eu2iv | 99.26 (6) |
Eu2vii—Ca1—O2vi | 105.4 (3) | Ca1xviii—Eu2—Eu2xi | 148.63 (8) |
Eu2vii—Ca1—O2vii | 71.9 (3) | Ca1xviii—Eu2—Eu2xii | 146.90 (8) |
Eu2vii—Ca1—O2viii | 32.2 (4) | Ca1xviii—Eu2—Eu2xiii | 97.57 (7) |
Eu2viii—Ca1—Si1vi | 56.79 (12) | Ca1xviii—Eu2—Eu2viii | 100.73 (8) |
Eu2viii—Ca1—Si1vii | 122.41 (18) | Ca1xviii—Eu2—Eu2xiv | 58.69 (7) |
Eu2viii—Ca1—Si1viii | 48.22 (19) | Ca1xviii—Eu2—Si1 | 50.56 (12) |
Eu2viii—Ca1—O1 | 71.6 (2) | Ca1xviii—Eu2—Si1xi | 141.16 (16) |
Eu2viii—Ca1—O1ix | 134.2 (4) | Ca1xviii—Eu2—O2xv | 32.5 (3) |
Eu2viii—Ca1—O1x | 122.0 (2) | Ca1xviii—Eu2—O3xiii | 69.84 (15) |
Eu2viii—Ca1—O2vi | 32.23 (19) | Ca1xviii—Eu2—O3xvi | 116.00 (15) |
Eu2viii—Ca1—O2vii | 105.4 (3) | Ca1xviii—Eu2—O4 | 125.87 (9) |
Eu2viii—Ca1—O2viii | 71.9 (4) | Ca1xix—Eu2—Ca1xx | 104.79 (6) |
Si1vi—Ca1—Si1vii | 93.8 (2) | Ca1xix—Eu2—Eu1xvii | 83.96 (5) |
Si1vi—Ca1—Si1viii | 93.8 (2) | Ca1xix—Eu2—Eu1xviii | 49.70 (10) |
Si1vi—Ca1—O1 | 93.7 (3) | Ca1xix—Eu2—Eu1xix | 0 |
Si1vi—Ca1—O1ix | 97.5 (3) | Ca1xix—Eu2—Eu1xx | 104.79 (6) |
Si1vi—Ca1—O1x | 165.9 (4) | Ca1xix—Eu2—Ca2 | 0 |
Si1vi—Ca1—O2vi | 28.9 (2) | Ca1xix—Eu2—Ca2iv | 99.26 (6) |
Si1vi—Ca1—O2vii | 65.1 (4) | Ca1xix—Eu2—Ca2xi | 148.63 (8) |
Si1vi—Ca1—O2viii | 98.9 (4) | Ca1xix—Eu2—Ca2xii | 97.57 (7) |
Si1vii—Ca1—Si1viii | 93.79 (18) | Ca1xix—Eu2—Ca2xiii | 146.90 (8) |
Si1vii—Ca1—O1 | 165.9 (3) | Ca1xix—Eu2—Ca2viii | 58.69 (7) |
Si1vii—Ca1—O1ix | 93.7 (4) | Ca1xix—Eu2—Ca2xiv | 100.73 (8) |
Si1vii—Ca1—O1x | 97.5 (3) | Ca1xix—Eu2—Eu2iv | 99.26 (6) |
Si1vii—Ca1—O2vi | 98.9 (3) | Ca1xix—Eu2—Eu2xi | 148.63 (8) |
Si1vii—Ca1—O2vii | 28.9 (4) | Ca1xix—Eu2—Eu2xii | 97.57 (7) |
Si1vii—Ca1—O2viii | 65.1 (3) | Ca1xix—Eu2—Eu2xiii | 146.90 (8) |
Si1viii—Ca1—O1 | 97.5 (2) | Ca1xix—Eu2—Eu2viii | 58.69 (7) |
Si1viii—Ca1—O1ix | 165.9 (2) | Ca1xix—Eu2—Eu2xiv | 100.73 (8) |
Si1viii—Ca1—O1x | 93.7 (3) | Ca1xix—Eu2—Si1 | 50.56 (12) |
Si1viii—Ca1—O2vi | 65.1 (3) | Ca1xix—Eu2—Si1xi | 141.16 (16) |
Si1viii—Ca1—O2vii | 98.9 (2) | Ca1xix—Eu2—O2xv | 32.5 (3) |
Si1viii—Ca1—O2viii | 28.9 (3) | Ca1xix—Eu2—O3xiii | 116.00 (15) |
O1—Ca1—O1ix | 73.5 (4) | Ca1xix—Eu2—O3xvi | 69.84 (15) |
O1—Ca1—O1x | 73.5 (4) | Ca1xix—Eu2—O4 | 125.87 (9) |
O1—Ca1—O2vi | 93.4 (3) | Ca1xx—Eu2—Eu1xvii | 50.79 (11) |
O1—Ca1—O2vii | 153.9 (4) | Ca1xx—Eu2—Eu1xviii | 83.96 (5) |
O1—Ca1—O2viii | 125.2 (3) | Ca1xx—Eu2—Eu1xix | 104.79 (6) |
O1ix—Ca1—O1x | 73.5 (4) | Ca1xx—Eu2—Eu1xx | 0 |
O1ix—Ca1—O2vi | 125.2 (4) | Ca1xx—Eu2—Ca2 | 0 |
O1ix—Ca1—O2vii | 93.4 (3) | Ca1xx—Eu2—Ca2iv | 150.53 (7) |
O1ix—Ca1—O2viii | 153.9 (5) | Ca1xx—Eu2—Ca2xi | 103.10 (5) |
O1x—Ca1—O2vi | 153.9 (3) | Ca1xx—Eu2—Ca2xii | 103.26 (10) |
O1x—Ca1—O2vii | 125.2 (5) | Ca1xx—Eu2—Ca2xiii | 60.59 (8) |
O1x—Ca1—O2viii | 93.4 (4) | Ca1xx—Eu2—Ca2viii | 146.60 (9) |
O2vi—Ca1—O2vii | 75.6 (4) | Ca1xx—Eu2—Ca2xiv | 96.58 (8) |
O2vi—Ca1—O2viii | 75.6 (5) | Ca1xx—Eu2—Eu2iv | 150.53 (7) |
O2vii—Ca1—O2viii | 75.6 (3) | Ca1xx—Eu2—Eu2xi | 103.10 (5) |
Ca1—Eu1—Ca1i | 0 | Ca1xx—Eu2—Eu2xii | 103.26 (10) |
Ca1—Eu1—Ca1ii | 0 | Ca1xx—Eu2—Eu2xiii | 60.59 (8) |
Ca1—Eu1—Eu1i | 0 | Ca1xx—Eu2—Eu2viii | 146.60 (9) |
Ca1—Eu1—Eu1ii | 0 | Ca1xx—Eu2—Eu2xiv | 96.58 (8) |
Ca1—Eu1—Ca2iii | 0 | Ca1xx—Eu2—Si1 | 134.45 (12) |
Ca1—Eu1—Ca2iv | 0 | Ca1xx—Eu2—Si1xi | 57.83 (17) |
Ca1—Eu1—Ca2v | 0 | Ca1xx—Eu2—O2xv | 75.2 (4) |
Ca1—Eu1—Ca2vi | 0 | Ca1xx—Eu2—O3xiii | 43.3 (3) |
Ca1—Eu1—Ca2vii | 0 | Ca1xx—Eu2—O3xvi | 94.1 (3) |
Ca1—Eu1—Ca2viii | 0 | Ca1xx—Eu2—O4 | 129.31 (6) |
Ca1—Eu1—Eu2iii | 0 | Eu1xvii—Eu2—Eu1xviii | 104.79 (6) |
Ca1—Eu1—Eu2iv | 0 | Eu1xvii—Eu2—Eu1xix | 83.96 (5) |
Ca1—Eu1—Eu2v | 0 | Eu1xvii—Eu2—Eu1xx | 50.79 (11) |
Ca1—Eu1—Eu2vi | 0 | Eu1xvii—Eu2—Ca2 | 0 |
Ca1—Eu1—Eu2vii | 0 | Eu1xvii—Eu2—Ca2iv | 150.53 (7) |
Ca1—Eu1—Eu2viii | 0 | Eu1xvii—Eu2—Ca2xi | 103.10 (5) |
Ca1—Eu1—Si1vi | 0 | Eu1xvii—Eu2—Ca2xii | 60.59 (8) |
Ca1—Eu1—Si1vii | 0 | Eu1xvii—Eu2—Ca2xiii | 103.26 (10) |
Ca1—Eu1—Si1viii | 0 | Eu1xvii—Eu2—Ca2viii | 96.58 (8) |
Ca1—Eu1—O1 | 0 | Eu1xvii—Eu2—Ca2xiv | 146.60 (9) |
Ca1—Eu1—O1ix | 0 | Eu1xvii—Eu2—Eu2iv | 150.53 (7) |
Ca1—Eu1—O1x | 0 | Eu1xvii—Eu2—Eu2xi | 103.10 (5) |
Ca1i—Eu1—Ca1ii | 180 | Eu1xvii—Eu2—Eu2xii | 60.59 (8) |
Ca1i—Eu1—Eu1i | 0 | Eu1xvii—Eu2—Eu2xiii | 103.26 (10) |
Ca1i—Eu1—Eu1ii | 180 | Eu1xvii—Eu2—Eu2viii | 96.58 (8) |
Ca1i—Eu1—Ca2iii | 115.39 (7) | Eu1xvii—Eu2—Eu2xiv | 146.60 (9) |
Ca1i—Eu1—Ca2iv | 115.39 (7) | Eu1xvii—Eu2—Si1 | 134.45 (12) |
Ca1i—Eu1—Ca2v | 115.39 (7) | Eu1xvii—Eu2—Si1xi | 57.83 (17) |
Ca1i—Eu1—Ca2vi | 65.15 (7) | Eu1xvii—Eu2—O2xv | 75.2 (4) |
Ca1i—Eu1—Ca2vii | 65.15 (7) | Eu1xvii—Eu2—O3xiii | 94.1 (3) |
Ca1i—Eu1—Ca2viii | 65.15 (7) | Eu1xvii—Eu2—O3xvi | 43.3 (3) |
Ca1i—Eu1—Eu2iii | 115.39 (7) | Eu1xvii—Eu2—O4 | 129.31 (6) |
Ca1i—Eu1—Eu2iv | 115.39 (7) | Eu1xviii—Eu2—Eu1xix | 49.70 (10) |
Ca1i—Eu1—Eu2v | 115.39 (7) | Eu1xviii—Eu2—Eu1xx | 83.96 (5) |
Ca1i—Eu1—Eu2vi | 65.15 (7) | Eu1xviii—Eu2—Ca2 | 0 |
Ca1i—Eu1—Eu2vii | 65.15 (7) | Eu1xviii—Eu2—Ca2iv | 99.26 (6) |
Ca1i—Eu1—Eu2viii | 65.15 (7) | Eu1xviii—Eu2—Ca2xi | 148.63 (8) |
Ca1i—Eu1—Si1vi | 57.47 (11) | Eu1xviii—Eu2—Ca2xii | 146.90 (8) |
Ca1i—Eu1—Si1vii | 57.47 (13) | Eu1xviii—Eu2—Ca2xiii | 97.57 (7) |
Ca1i—Eu1—Si1viii | 57.47 (10) | Eu1xviii—Eu2—Ca2viii | 100.73 (8) |
Ca1i—Eu1—O1 | 136.3 (2) | Eu1xviii—Eu2—Ca2xiv | 58.69 (7) |
Ca1i—Eu1—O1ix | 136.30 (19) | Eu1xviii—Eu2—Eu2iv | 99.26 (6) |
Ca1i—Eu1—O1x | 136.3 (3) | Eu1xviii—Eu2—Eu2xi | 148.63 (8) |
Ca1ii—Eu1—Eu1i | 180 | Eu1xviii—Eu2—Eu2xii | 146.90 (8) |
Ca1ii—Eu1—Eu1ii | 0 | Eu1xviii—Eu2—Eu2xiii | 97.57 (7) |
Ca1ii—Eu1—Ca2iii | 64.61 (7) | Eu1xviii—Eu2—Eu2viii | 100.73 (8) |
Ca1ii—Eu1—Ca2iv | 64.61 (7) | Eu1xviii—Eu2—Eu2xiv | 58.69 (7) |
Ca1ii—Eu1—Ca2v | 64.61 (7) | Eu1xviii—Eu2—Si1 | 50.56 (12) |
Ca1ii—Eu1—Ca2vi | 114.85 (7) | Eu1xviii—Eu2—Si1xi | 141.16 (16) |
Ca1ii—Eu1—Ca2vii | 114.85 (7) | Eu1xviii—Eu2—O2xv | 32.5 (3) |
Ca1ii—Eu1—Ca2viii | 114.85 (7) | Eu1xviii—Eu2—O3xiii | 69.84 (15) |
Ca1ii—Eu1—Eu2iii | 64.61 (7) | Eu1xviii—Eu2—O3xvi | 116.00 (15) |
Ca1ii—Eu1—Eu2iv | 64.61 (7) | Eu1xviii—Eu2—O4 | 125.87 (9) |
Ca1ii—Eu1—Eu2v | 64.61 (7) | Eu1xix—Eu2—Eu1xx | 104.79 (6) |
Ca1ii—Eu1—Eu2vi | 114.85 (7) | Eu1xix—Eu2—Ca2 | 0 |
Ca1ii—Eu1—Eu2vii | 114.85 (7) | Eu1xix—Eu2—Ca2iv | 99.26 (6) |
Ca1ii—Eu1—Eu2viii | 114.85 (7) | Eu1xix—Eu2—Ca2xi | 148.63 (8) |
Ca1ii—Eu1—Si1vi | 122.53 (11) | Eu1xix—Eu2—Ca2xii | 97.57 (7) |
Ca1ii—Eu1—Si1vii | 122.53 (13) | Eu1xix—Eu2—Ca2xiii | 146.90 (8) |
Ca1ii—Eu1—Si1viii | 122.53 (10) | Eu1xix—Eu2—Ca2viii | 58.69 (7) |
Ca1ii—Eu1—O1 | 43.7 (2) | Eu1xix—Eu2—Ca2xiv | 100.73 (8) |
Ca1ii—Eu1—O1ix | 43.70 (19) | Eu1xix—Eu2—Eu2iv | 99.26 (6) |
Ca1ii—Eu1—O1x | 43.7 (3) | Eu1xix—Eu2—Eu2xi | 148.63 (8) |
Eu1i—Eu1—Eu1ii | 180 | Eu1xix—Eu2—Eu2xii | 97.57 (7) |
Eu1i—Eu1—Ca2iii | 115.39 (7) | Eu1xix—Eu2—Eu2xiii | 146.90 (8) |
Eu1i—Eu1—Ca2iv | 115.39 (7) | Eu1xix—Eu2—Eu2viii | 58.69 (7) |
Eu1i—Eu1—Ca2v | 115.39 (7) | Eu1xix—Eu2—Eu2xiv | 100.73 (8) |
Eu1i—Eu1—Ca2vi | 65.15 (7) | Eu1xix—Eu2—Si1 | 50.56 (12) |
Eu1i—Eu1—Ca2vii | 65.15 (7) | Eu1xix—Eu2—Si1xi | 141.16 (16) |
Eu1i—Eu1—Ca2viii | 65.15 (7) | Eu1xix—Eu2—O2xv | 32.5 (3) |
Eu1i—Eu1—Eu2iii | 115.39 (7) | Eu1xix—Eu2—O3xiii | 116.00 (15) |
Eu1i—Eu1—Eu2iv | 115.39 (7) | Eu1xix—Eu2—O3xvi | 69.84 (15) |
Eu1i—Eu1—Eu2v | 115.39 (7) | Eu1xix—Eu2—O4 | 125.87 (9) |
Eu1i—Eu1—Eu2vi | 65.15 (7) | Eu1xx—Eu2—Ca2 | 0 |
Eu1i—Eu1—Eu2vii | 65.15 (7) | Eu1xx—Eu2—Ca2iv | 150.53 (7) |
Eu1i—Eu1—Eu2viii | 65.15 (7) | Eu1xx—Eu2—Ca2xi | 103.10 (5) |
Eu1i—Eu1—Si1vi | 57.47 (11) | Eu1xx—Eu2—Ca2xii | 103.26 (10) |
Eu1i—Eu1—Si1vii | 57.47 (13) | Eu1xx—Eu2—Ca2xiii | 60.59 (8) |
Eu1i—Eu1—Si1viii | 57.47 (10) | Eu1xx—Eu2—Ca2viii | 146.60 (9) |
Eu1i—Eu1—O1 | 136.3 (2) | Eu1xx—Eu2—Ca2xiv | 96.58 (8) |
Eu1i—Eu1—O1ix | 136.30 (19) | Eu1xx—Eu2—Eu2iv | 150.53 (7) |
Eu1i—Eu1—O1x | 136.3 (3) | Eu1xx—Eu2—Eu2xi | 103.10 (5) |
Eu1ii—Eu1—Ca2iii | 64.61 (7) | Eu1xx—Eu2—Eu2xii | 103.26 (10) |
Eu1ii—Eu1—Ca2iv | 64.61 (7) | Eu1xx—Eu2—Eu2xiii | 60.59 (8) |
Eu1ii—Eu1—Ca2v | 64.61 (7) | Eu1xx—Eu2—Eu2viii | 146.60 (9) |
Eu1ii—Eu1—Ca2vi | 114.85 (7) | Eu1xx—Eu2—Eu2xiv | 96.58 (8) |
Eu1ii—Eu1—Ca2vii | 114.85 (7) | Eu1xx—Eu2—Si1 | 134.45 (12) |
Eu1ii—Eu1—Ca2viii | 114.85 (7) | Eu1xx—Eu2—Si1xi | 57.83 (17) |
Eu1ii—Eu1—Eu2iii | 64.61 (7) | Eu1xx—Eu2—O2xv | 75.2 (4) |
Eu1ii—Eu1—Eu2iv | 64.61 (7) | Eu1xx—Eu2—O3xiii | 43.3 (3) |
Eu1ii—Eu1—Eu2v | 64.61 (7) | Eu1xx—Eu2—O3xvi | 94.1 (3) |
Eu1ii—Eu1—Eu2vi | 114.85 (7) | Eu1xx—Eu2—O4 | 129.31 (6) |
Eu1ii—Eu1—Eu2vii | 114.85 (7) | Ca2—Eu2—Ca2iv | 0 |
Eu1ii—Eu1—Eu2viii | 114.85 (7) | Ca2—Eu2—Ca2xi | 0 |
Eu1ii—Eu1—Si1vi | 122.53 (11) | Ca2—Eu2—Ca2xii | 0 |
Eu1ii—Eu1—Si1vii | 122.53 (13) | Ca2—Eu2—Ca2xiii | 0 |
Eu1ii—Eu1—Si1viii | 122.53 (10) | Ca2—Eu2—Ca2viii | 0 |
Eu1ii—Eu1—O1 | 43.7 (2) | Ca2—Eu2—Ca2xiv | 0 |
Eu1ii—Eu1—O1ix | 43.70 (19) | Ca2—Eu2—Eu2iv | 0 |
Eu1ii—Eu1—O1x | 43.7 (3) | Ca2—Eu2—Eu2xi | 0 |
Ca2iii—Eu1—Ca2iv | 102.95 (10) | Ca2—Eu2—Eu2xii | 0 |
Ca2iii—Eu1—Ca2v | 102.95 (9) | Ca2—Eu2—Eu2xiii | 0 |
Ca2iii—Eu1—Ca2vi | 96.04 (4) | Ca2—Eu2—Eu2viii | 0 |
Ca2iii—Eu1—Ca2vii | 60.71 (4) | Ca2—Eu2—Eu2xiv | 0 |
Ca2iii—Eu1—Ca2viii | 157.62 (5) | Ca2—Eu2—Si1 | 0 |
Ca2iii—Eu1—Eu2iii | 0 | Ca2—Eu2—Si1xi | 0 |
Ca2iii—Eu1—Eu2iv | 102.95 (10) | Ca2—Eu2—O2xv | 0 |
Ca2iii—Eu1—Eu2v | 102.95 (9) | Ca2—Eu2—O3xiii | 0 |
Ca2iii—Eu1—Eu2vi | 96.04 (4) | Ca2—Eu2—O3xvi | 0 |
Ca2iii—Eu1—Eu2vii | 60.71 (4) | Ca2—Eu2—O4 | 0 |
Ca2iii—Eu1—Eu2viii | 157.62 (5) | Ca2iv—Eu2—Ca2xi | 60.00 (6) |
Ca2iii—Eu1—Si1vi | 144.17 (11) | Ca2iv—Eu2—Ca2xii | 90.00 (7) |
Ca2iii—Eu1—Si1vii | 60.87 (12) | Ca2iv—Eu2—Ca2xiii | 90.00 (7) |
Ca2iii—Eu1—Si1viii | 111.59 (18) | Ca2iv—Eu2—Ca2viii | 61.96 (6) |
Ca2iii—Eu1—O1 | 106.9 (3) | Ca2iv—Eu2—Ca2xiv | 61.96 (6) |
Ca2iii—Eu1—O1ix | 62.5 (4) | Ca2iv—Eu2—Eu2iv | 0 |
Ca2iii—Eu1—O1x | 40.7 (3) | Ca2iv—Eu2—Eu2xi | 60.00 (6) |
Ca2iv—Eu1—Ca2v | 102.95 (9) | Ca2iv—Eu2—Eu2xii | 90.00 (7) |
Ca2iv—Eu1—Ca2vi | 157.62 (7) | Ca2iv—Eu2—Eu2xiii | 90.00 (7) |
Ca2iv—Eu1—Ca2vii | 96.04 (5) | Ca2iv—Eu2—Eu2viii | 61.96 (6) |
Ca2iv—Eu1—Ca2viii | 60.71 (4) | Ca2iv—Eu2—Eu2xiv | 61.96 (6) |
Ca2iv—Eu1—Eu2iii | 102.95 (10) | Ca2iv—Eu2—Si1 | 54.66 (15) |
Ca2iv—Eu1—Eu2iv | 0 | Ca2iv—Eu2—Si1xi | 110.6 (2) |
Ca2iv—Eu1—Eu2v | 102.95 (9) | Ca2iv—Eu2—O2xv | 121.9 (4) |
Ca2iv—Eu1—Eu2vi | 157.62 (7) | Ca2iv—Eu2—O3xiii | 110.2 (2) |
Ca2iv—Eu1—Eu2vii | 96.04 (5) | Ca2iv—Eu2—O3xvi | 110.2 (2) |
Ca2iv—Eu1—Eu2viii | 60.71 (4) | Ca2iv—Eu2—O4 | 30.00 (5) |
Ca2iv—Eu1—Si1vi | 111.59 (13) | Ca2xi—Eu2—Ca2xii | 61.96 (4) |
Ca2iv—Eu1—Si1vii | 144.17 (14) | Ca2xi—Eu2—Ca2xiii | 61.96 (4) |
Ca2iv—Eu1—Si1viii | 60.87 (6) | Ca2xi—Eu2—Ca2viii | 90.00 (6) |
Ca2iv—Eu1—O1 | 40.7 (2) | Ca2xi—Eu2—Ca2xiv | 90.00 (6) |
Ca2iv—Eu1—O1ix | 106.9 (3) | Ca2xi—Eu2—Eu2iv | 60.00 (6) |
Ca2iv—Eu1—O1x | 62.5 (3) | Ca2xi—Eu2—Eu2xi | 0 |
Ca2v—Eu1—Ca2vi | 60.71 (3) | Ca2xi—Eu2—Eu2xii | 61.96 (4) |
Ca2v—Eu1—Ca2vii | 157.62 (4) | Ca2xi—Eu2—Eu2xiii | 61.96 (4) |
Ca2v—Eu1—Ca2viii | 96.04 (5) | Ca2xi—Eu2—Eu2viii | 90.00 (6) |
Ca2v—Eu1—Eu2iii | 102.95 (9) | Ca2xi—Eu2—Eu2xiv | 90.00 (6) |
Ca2v—Eu1—Eu2iv | 102.95 (9) | Ca2xi—Eu2—Si1 | 114.66 (16) |
Ca2v—Eu1—Eu2v | 0 | Ca2xi—Eu2—Si1xi | 50.64 (19) |
Ca2v—Eu1—Eu2vi | 60.71 (3) | Ca2xi—Eu2—O2xv | 178.1 (4) |
Ca2v—Eu1—Eu2vii | 157.62 (4) | Ca2xi—Eu2—O3xiii | 94.20 (14) |
Ca2v—Eu1—Eu2viii | 96.04 (5) | Ca2xi—Eu2—O3xvi | 94.20 (14) |
Ca2v—Eu1—Si1vi | 60.87 (7) | Ca2xi—Eu2—O4 | 30.00 (4) |
Ca2v—Eu1—Si1vii | 111.59 (11) | Ca2xii—Eu2—Ca2xiii | 114.25 (5) |
Ca2v—Eu1—Si1viii | 144.17 (18) | Ca2xii—Eu2—Ca2viii | 56.08 (4) |
Ca2v—Eu1—O1 | 62.5 (2) | Ca2xii—Eu2—Ca2xiv | 148.50 (9) |
Ca2v—Eu1—O1ix | 40.7 (4) | Ca2xii—Eu2—Eu2iv | 90.00 (7) |
Ca2v—Eu1—O1x | 106.9 (3) | Ca2xii—Eu2—Eu2xi | 61.96 (4) |
Ca2vi—Eu1—Ca2vii | 103.60 (9) | Ca2xii—Eu2—Eu2xii | 0 |
Ca2vi—Eu1—Ca2viii | 103.60 (9) | Ca2xii—Eu2—Eu2xiii | 114.25 (5) |
Ca2vi—Eu1—Eu2iii | 96.04 (4) | Ca2xii—Eu2—Eu2viii | 56.08 (4) |
Ca2vi—Eu1—Eu2iv | 157.62 (7) | Ca2xii—Eu2—Eu2xiv | 148.50 (9) |
Ca2vi—Eu1—Eu2v | 60.71 (3) | Ca2xii—Eu2—Si1 | 116.28 (8) |
Ca2vi—Eu1—Eu2vi | 0 | Ca2xii—Eu2—Si1xi | 59.47 (6) |
Ca2vi—Eu1—Eu2vii | 103.60 (9) | Ca2xii—Eu2—O2xv | 117.43 (14) |
Ca2vi—Eu1—Eu2viii | 103.60 (9) | Ca2xii—Eu2—O3xiii | 136.1 (2) |
Ca2vi—Eu1—Si1vi | 48.22 (12) | Ca2xii—Eu2—O3xvi | 32.37 (15) |
Ca2vi—Eu1—Si1vii | 56.79 (14) | Ca2xii—Eu2—O4 | 74.25 (5) |
Ca2vi—Eu1—Si1viii | 122.41 (17) | Ca2xiii—Eu2—Ca2viii | 148.50 (9) |
Ca2vi—Eu1—O1 | 122.0 (3) | Ca2xiii—Eu2—Ca2xiv | 56.08 (4) |
Ca2vi—Eu1—O1ix | 71.61 (16) | Ca2xiii—Eu2—Eu2iv | 90.00 (7) |
Ca2vi—Eu1—O1x | 134.2 (2) | Ca2xiii—Eu2—Eu2xi | 61.96 (4) |
Ca2vii—Eu1—Ca2viii | 103.60 (10) | Ca2xiii—Eu2—Eu2xii | 114.25 (5) |
Ca2vii—Eu1—Eu2iii | 60.71 (4) | Ca2xiii—Eu2—Eu2xiii | 0 |
Ca2vii—Eu1—Eu2iv | 96.04 (5) | Ca2xiii—Eu2—Eu2viii | 148.50 (9) |
Ca2vii—Eu1—Eu2v | 157.62 (4) | Ca2xiii—Eu2—Eu2xiv | 56.08 (4) |
Ca2vii—Eu1—Eu2vi | 103.60 (9) | Ca2xiii—Eu2—Si1 | 116.28 (8) |
Ca2vii—Eu1—Eu2vii | 0 | Ca2xiii—Eu2—Si1xi | 59.47 (6) |
Ca2vii—Eu1—Eu2viii | 103.60 (10) | Ca2xiii—Eu2—O2xv | 117.43 (14) |
Ca2vii—Eu1—Si1vi | 122.41 (17) | Ca2xiii—Eu2—O3xiii | 32.37 (15) |
Ca2vii—Eu1—Si1vii | 48.22 (13) | Ca2xiii—Eu2—O3xvi | 136.1 (2) |
Ca2vii—Eu1—Si1viii | 56.79 (18) | Ca2xiii—Eu2—O4 | 74.25 (5) |
Ca2vii—Eu1—O1 | 134.2 (3) | Ca2viii—Eu2—Ca2xiv | 114.25 (8) |
Ca2vii—Eu1—O1ix | 122.0 (4) | Ca2viii—Eu2—Eu2iv | 61.96 (6) |
Ca2vii—Eu1—O1x | 71.6 (3) | Ca2viii—Eu2—Eu2xi | 90.00 (6) |
Ca2viii—Eu1—Eu2iii | 157.62 (5) | Ca2viii—Eu2—Eu2xii | 56.08 (4) |
Ca2viii—Eu1—Eu2iv | 60.71 (4) | Ca2viii—Eu2—Eu2xiii | 148.50 (9) |
Ca2viii—Eu1—Eu2v | 96.04 (5) | Ca2viii—Eu2—Eu2viii | 0 |
Ca2viii—Eu1—Eu2vi | 103.60 (9) | Ca2viii—Eu2—Eu2xiv | 114.25 (8) |
Ca2viii—Eu1—Eu2vii | 103.60 (10) | Ca2viii—Eu2—Si1 | 60.44 (5) |
Ca2viii—Eu1—Eu2viii | 0 | Ca2viii—Eu2—Si1xi | 114.82 (8) |
Ca2viii—Eu1—Si1vi | 56.79 (12) | Ca2viii—Eu2—O2xv | 91.0 (2) |
Ca2viii—Eu1—Si1vii | 122.41 (18) | Ca2viii—Eu2—O3xiii | 167.3 (2) |
Ca2viii—Eu1—Si1viii | 48.22 (19) | Ca2viii—Eu2—O3xvi | 53.9 (2) |
Ca2viii—Eu1—O1 | 71.6 (2) | Ca2viii—Eu2—O4 | 74.25 (7) |
Ca2viii—Eu1—O1ix | 134.2 (4) | Ca2xiv—Eu2—Eu2iv | 61.96 (6) |
Ca2viii—Eu1—O1x | 122.0 (2) | Ca2xiv—Eu2—Eu2xi | 90.00 (6) |
Eu2iii—Eu1—Eu2iv | 102.95 (10) | Ca2xiv—Eu2—Eu2xii | 148.50 (9) |
Eu2iii—Eu1—Eu2v | 102.95 (9) | Ca2xiv—Eu2—Eu2xiii | 56.08 (4) |
Eu2iii—Eu1—Eu2vi | 96.04 (4) | Ca2xiv—Eu2—Eu2viii | 114.25 (8) |
Eu2iii—Eu1—Eu2vii | 60.71 (4) | Ca2xiv—Eu2—Eu2xiv | 0 |
Eu2iii—Eu1—Eu2viii | 157.62 (5) | Ca2xiv—Eu2—Si1 | 60.44 (5) |
Eu2iii—Eu1—Si1vi | 144.17 (11) | Ca2xiv—Eu2—Si1xi | 114.82 (8) |
Eu2iii—Eu1—Si1vii | 60.87 (12) | Ca2xiv—Eu2—O2xv | 91.0 (2) |
Eu2iii—Eu1—Si1viii | 111.59 (18) | Ca2xiv—Eu2—O3xiii | 53.9 (2) |
Eu2iii—Eu1—O1 | 106.9 (3) | Ca2xiv—Eu2—O3xvi | 167.3 (2) |
Eu2iii—Eu1—O1ix | 62.5 (4) | Ca2xiv—Eu2—O4 | 74.25 (7) |
Eu2iii—Eu1—O1x | 40.7 (3) | Eu2iv—Eu2—Eu2xi | 60.00 (6) |
Eu2iv—Eu1—Eu2v | 102.95 (9) | Eu2iv—Eu2—Eu2xii | 90.00 (7) |
Eu2iv—Eu1—Eu2vi | 157.62 (7) | Eu2iv—Eu2—Eu2xiii | 90.00 (7) |
Eu2iv—Eu1—Eu2vii | 96.04 (5) | Eu2iv—Eu2—Eu2viii | 61.96 (6) |
Eu2iv—Eu1—Eu2viii | 60.71 (4) | Eu2iv—Eu2—Eu2xiv | 61.96 (6) |
Eu2iv—Eu1—Si1vi | 111.59 (13) | Eu2iv—Eu2—Si1 | 54.66 (15) |
Eu2iv—Eu1—Si1vii | 144.17 (14) | Eu2iv—Eu2—Si1xi | 110.6 (2) |
Eu2iv—Eu1—Si1viii | 60.87 (6) | Eu2iv—Eu2—O2xv | 121.9 (4) |
Eu2iv—Eu1—O1 | 40.7 (2) | Eu2iv—Eu2—O3xiii | 110.2 (2) |
Eu2iv—Eu1—O1ix | 106.9 (3) | Eu2iv—Eu2—O3xvi | 110.2 (2) |
Eu2iv—Eu1—O1x | 62.5 (3) | Eu2iv—Eu2—O4 | 30.00 (5) |
Eu2v—Eu1—Eu2vi | 60.71 (3) | Eu2xi—Eu2—Eu2xii | 61.96 (4) |
Eu2v—Eu1—Eu2vii | 157.62 (4) | Eu2xi—Eu2—Eu2xiii | 61.96 (4) |
Eu2v—Eu1—Eu2viii | 96.04 (5) | Eu2xi—Eu2—Eu2viii | 90.00 (6) |
Eu2v—Eu1—Si1vi | 60.87 (7) | Eu2xi—Eu2—Eu2xiv | 90.00 (6) |
Eu2v—Eu1—Si1vii | 111.59 (11) | Eu2xi—Eu2—Si1 | 114.66 (16) |
Eu2v—Eu1—Si1viii | 144.17 (18) | Eu2xi—Eu2—Si1xi | 50.64 (19) |
Eu2v—Eu1—O1 | 62.5 (2) | Eu2xi—Eu2—O2xv | 178.1 (4) |
Eu2v—Eu1—O1ix | 40.7 (4) | Eu2xi—Eu2—O3xiii | 94.20 (14) |
Eu2v—Eu1—O1x | 106.9 (3) | Eu2xi—Eu2—O3xvi | 94.20 (14) |
Eu2vi—Eu1—Eu2vii | 103.60 (9) | Eu2xi—Eu2—O4 | 30.00 (4) |
Eu2vi—Eu1—Eu2viii | 103.60 (9) | Eu2xii—Eu2—Eu2xiii | 114.25 (5) |
Eu2vi—Eu1—Si1vi | 48.22 (12) | Eu2xii—Eu2—Eu2viii | 56.08 (4) |
Eu2vi—Eu1—Si1vii | 56.79 (14) | Eu2xii—Eu2—Eu2xiv | 148.50 (9) |
Eu2vi—Eu1—Si1viii | 122.41 (17) | Eu2xii—Eu2—Si1 | 116.28 (8) |
Eu2vi—Eu1—O1 | 122.0 (3) | Eu2xii—Eu2—Si1xi | 59.47 (6) |
Eu2vi—Eu1—O1ix | 71.61 (16) | Eu2xii—Eu2—O2xv | 117.43 (14) |
Eu2vi—Eu1—O1x | 134.2 (2) | Eu2xii—Eu2—O3xiii | 136.1 (2) |
Eu2vii—Eu1—Eu2viii | 103.60 (10) | Eu2xii—Eu2—O3xvi | 32.37 (15) |
Eu2vii—Eu1—Si1vi | 122.41 (17) | Eu2xii—Eu2—O4 | 74.25 (5) |
Eu2vii—Eu1—Si1vii | 48.22 (13) | Eu2xiii—Eu2—Eu2viii | 148.50 (9) |
Eu2vii—Eu1—Si1viii | 56.79 (18) | Eu2xiii—Eu2—Eu2xiv | 56.08 (4) |
Eu2vii—Eu1—O1 | 134.2 (3) | Eu2xiii—Eu2—Si1 | 116.28 (8) |
Eu2vii—Eu1—O1ix | 122.0 (4) | Eu2xiii—Eu2—Si1xi | 59.47 (6) |
Eu2vii—Eu1—O1x | 71.6 (3) | Eu2xiii—Eu2—O2xv | 117.43 (14) |
Eu2viii—Eu1—Si1vi | 56.79 (12) | Eu2xiii—Eu2—O3xiii | 32.37 (15) |
Eu2viii—Eu1—Si1vii | 122.41 (18) | Eu2xiii—Eu2—O3xvi | 136.1 (2) |
Eu2viii—Eu1—Si1viii | 48.22 (19) | Eu2xiii—Eu2—O4 | 74.25 (5) |
Eu2viii—Eu1—O1 | 71.6 (2) | Eu2viii—Eu2—Eu2xiv | 114.25 (8) |
Eu2viii—Eu1—O1ix | 134.2 (4) | Eu2viii—Eu2—Si1 | 60.44 (5) |
Eu2viii—Eu1—O1x | 122.0 (2) | Eu2viii—Eu2—Si1xi | 114.82 (8) |
Si1vi—Eu1—Si1vii | 93.8 (2) | Eu2viii—Eu2—O2xv | 91.0 (2) |
Si1vi—Eu1—Si1viii | 93.8 (2) | Eu2viii—Eu2—O3xiii | 167.3 (2) |
Si1vi—Eu1—O1 | 93.7 (3) | Eu2viii—Eu2—O3xvi | 53.9 (2) |
Si1vi—Eu1—O1ix | 97.5 (3) | Eu2viii—Eu2—O4 | 74.25 (7) |
Si1vi—Eu1—O1x | 165.9 (4) | Eu2xiv—Eu2—Si1 | 60.44 (5) |
Si1vii—Eu1—Si1viii | 93.79 (18) | Eu2xiv—Eu2—Si1xi | 114.82 (8) |
Si1vii—Eu1—O1 | 165.9 (3) | Eu2xiv—Eu2—O2xv | 91.0 (2) |
Si1vii—Eu1—O1ix | 93.7 (4) | Eu2xiv—Eu2—O3xiii | 53.9 (2) |
Si1vii—Eu1—O1x | 97.5 (3) | Eu2xiv—Eu2—O3xvi | 167.3 (2) |
Si1viii—Eu1—O1 | 97.5 (2) | Eu2xiv—Eu2—O4 | 74.25 (7) |
Si1viii—Eu1—O1ix | 165.9 (2) | Si1—Eu2—Si1xi | 165.3 (2) |
Si1viii—Eu1—O1x | 93.7 (3) | Si1—Eu2—O2xv | 67.3 (4) |
O1—Eu1—O1ix | 73.5 (4) | Si1—Eu2—O3xiii | 107.0 (2) |
O1—Eu1—O1x | 73.5 (4) | Si1—Eu2—O3xvi | 107.0 (2) |
O1ix—Eu1—O1x | 73.5 (4) | Si1—Eu2—O4 | 84.66 (16) |
Ca1xvii—Ca2—Ca1xviii | 104.79 (6) | Si1xi—Eu2—O2xv | 127.4 (5) |
Ca1xvii—Ca2—Ca1xix | 83.96 (5) | Si1xi—Eu2—O3xiii | 76.77 (18) |
Ca1xvii—Ca2—Ca1xx | 50.79 (11) | Si1xi—Eu2—O3xvi | 76.77 (18) |
Ca1xvii—Ca2—Eu1xvii | 0 | Si1xi—Eu2—O4 | 80.64 (19) |
Ca1xvii—Ca2—Eu1xviii | 104.79 (6) | O2xv—Eu2—O3xiii | 85.1 (2) |
Ca1xvii—Ca2—Eu1xix | 83.96 (5) | O2xv—Eu2—O3xvi | 85.1 (2) |
Ca1xvii—Ca2—Eu1xx | 50.79 (11) | O2xv—Eu2—O4 | 151.9 (4) |
Ca1xvii—Ca2—Ca2iv | 150.53 (7) | O3xiii—Eu2—O3xvi | 137.4 (4) |
Ca1xvii—Ca2—Ca2xi | 103.10 (5) | O3xiii—Eu2—O4 | 103.97 (19) |
Ca1xvii—Ca2—Ca2xii | 60.59 (8) | O3xvi—Eu2—O4 | 103.97 (19) |
Ca1xvii—Ca2—Ca2xiii | 103.26 (10) | Ca1xviii—Si1—Ca1xix | 65.07 (19) |
Ca1xvii—Ca2—Ca2viii | 96.58 (8) | Ca1xviii—Si1—Eu1xviii | 0 |
Ca1xvii—Ca2—Ca2xiv | 146.60 (9) | Ca1xviii—Si1—Eu1xix | 65.07 (19) |
Ca1xvii—Ca2—Eu2 | 0 | Ca1xviii—Si1—Ca2 | 81.22 (19) |
Ca1xvii—Ca2—Eu2iv | 150.53 (7) | Ca1xviii—Si1—Ca2iv | 139.42 (14) |
Ca1xvii—Ca2—Eu2xi | 103.10 (5) | Ca1xviii—Si1—Eu2 | 81.22 (19) |
Ca1xvii—Ca2—Eu2xii | 60.59 (8) | Ca1xviii—Si1—Eu2iv | 139.42 (14) |
Ca1xvii—Ca2—Eu2xiii | 103.26 (10) | Ca1xviii—Si1—O1 | 137.0 (3) |
Ca1xvii—Ca2—Eu2viii | 96.58 (8) | Ca1xviii—Si1—O2 | 47.8 (4) |
Ca1xvii—Ca2—Eu2xiv | 146.60 (9) | Ca1xviii—Si1—O3 | 112.0 (5) |
Ca1xvii—Ca2—Si1 | 134.45 (12) | Ca1xviii—Si1—O3ii | 61.6 (3) |
Ca1xvii—Ca2—Si1xi | 57.83 (17) | Ca1xix—Si1—Eu1xviii | 65.07 (19) |
Ca1xvii—Ca2—O2xv | 75.2 (4) | Ca1xix—Si1—Eu1xix | 0 |
Ca1xvii—Ca2—O3xiii | 94.1 (3) | Ca1xix—Si1—Ca2 | 81.22 (19) |
Ca1xvii—Ca2—O3xvi | 43.3 (3) | Ca1xix—Si1—Ca2iv | 139.42 (14) |
Ca1xvii—Ca2—O4 | 129.31 (6) | Ca1xix—Si1—Eu2 | 81.22 (19) |
Ca1xviii—Ca2—Ca1xix | 49.70 (10) | Ca1xix—Si1—Eu2iv | 139.42 (14) |
Ca1xviii—Ca2—Ca1xx | 83.96 (5) | Ca1xix—Si1—O1 | 137.0 (3) |
Ca1xviii—Ca2—Eu1xvii | 104.79 (6) | Ca1xix—Si1—O2 | 47.8 (4) |
Ca1xviii—Ca2—Eu1xviii | 0 | Ca1xix—Si1—O3 | 61.6 (3) |
Ca1xviii—Ca2—Eu1xix | 49.70 (10) | Ca1xix—Si1—O3ii | 112.0 (5) |
Ca1xviii—Ca2—Eu1xx | 83.96 (5) | Eu1xviii—Si1—Eu1xix | 65.07 (19) |
Ca1xviii—Ca2—Ca2iv | 99.26 (6) | Eu1xviii—Si1—Ca2 | 81.22 (19) |
Ca1xviii—Ca2—Ca2xi | 148.63 (8) | Eu1xviii—Si1—Ca2iv | 139.42 (14) |
Ca1xviii—Ca2—Ca2xii | 146.90 (8) | Eu1xviii—Si1—Eu2 | 81.22 (19) |
Ca1xviii—Ca2—Ca2xiii | 97.57 (7) | Eu1xviii—Si1—Eu2iv | 139.42 (14) |
Ca1xviii—Ca2—Ca2viii | 100.73 (8) | Eu1xviii—Si1—O1 | 137.0 (3) |
Ca1xviii—Ca2—Ca2xiv | 58.69 (7) | Eu1xviii—Si1—O2 | 47.8 (4) |
Ca1xviii—Ca2—Eu2 | 0 | Eu1xviii—Si1—O3 | 112.0 (5) |
Ca1xviii—Ca2—Eu2iv | 99.26 (6) | Eu1xviii—Si1—O3ii | 61.6 (3) |
Ca1xviii—Ca2—Eu2xi | 148.63 (8) | Eu1xix—Si1—Ca2 | 81.22 (19) |
Ca1xviii—Ca2—Eu2xii | 146.90 (8) | Eu1xix—Si1—Ca2iv | 139.42 (14) |
Ca1xviii—Ca2—Eu2xiii | 97.57 (7) | Eu1xix—Si1—Eu2 | 81.22 (19) |
Ca1xviii—Ca2—Eu2viii | 100.73 (8) | Eu1xix—Si1—Eu2iv | 139.42 (14) |
Ca1xviii—Ca2—Eu2xiv | 58.69 (7) | Eu1xix—Si1—O1 | 137.0 (3) |
Ca1xviii—Ca2—Si1 | 50.56 (12) | Eu1xix—Si1—O2 | 47.8 (4) |
Ca1xviii—Ca2—Si1xi | 141.16 (16) | Eu1xix—Si1—O3 | 61.6 (3) |
Ca1xviii—Ca2—O2xv | 32.5 (3) | Eu1xix—Si1—O3ii | 112.0 (5) |
Ca1xviii—Ca2—O3xiii | 69.84 (15) | Ca2—Si1—Ca2iv | 74.70 (13) |
Ca1xviii—Ca2—O3xvi | 116.00 (15) | Ca2—Si1—Eu2 | 0 |
Ca1xviii—Ca2—O4 | 125.87 (9) | Ca2—Si1—Eu2iv | 74.70 (13) |
Ca1xix—Ca2—Ca1xx | 104.79 (6) | Ca2—Si1—O1 | 130.3 (4) |
Ca1xix—Ca2—Eu1xvii | 83.96 (5) | Ca2—Si1—O2 | 116.7 (6) |
Ca1xix—Ca2—Eu1xviii | 49.70 (10) | Ca2—Si1—O3 | 52.4 (3) |
Ca1xix—Ca2—Eu1xix | 0 | Ca2—Si1—O3ii | 52.4 (3) |
Ca1xix—Ca2—Eu1xx | 104.79 (6) | Ca2iv—Si1—Eu2 | 74.70 (13) |
Ca1xix—Ca2—Ca2iv | 99.26 (6) | Ca2iv—Si1—Eu2iv | 0 |
Ca1xix—Ca2—Ca2xi | 148.63 (8) | Ca2iv—Si1—O1 | 55.6 (3) |
Ca1xix—Ca2—Ca2xii | 97.57 (7) | Ca2iv—Si1—O2 | 168.6 (6) |
Ca1xix—Ca2—Ca2xiii | 146.90 (8) | Ca2iv—Si1—O3 | 77.8 (3) |
Ca1xix—Ca2—Ca2viii | 58.69 (7) | Ca2iv—Si1—O3ii | 77.8 (3) |
Ca1xix—Ca2—Ca2xiv | 100.73 (8) | Eu2—Si1—Eu2iv | 74.70 (13) |
Ca1xix—Ca2—Eu2 | 0 | Eu2—Si1—O1 | 130.3 (4) |
Ca1xix—Ca2—Eu2iv | 99.26 (6) | Eu2—Si1—O2 | 116.7 (6) |
Ca1xix—Ca2—Eu2xi | 148.63 (8) | Eu2—Si1—O3 | 52.4 (3) |
Ca1xix—Ca2—Eu2xii | 97.57 (7) | Eu2—Si1—O3ii | 52.4 (3) |
Ca1xix—Ca2—Eu2xiii | 146.90 (8) | Eu2iv—Si1—O1 | 55.6 (3) |
Ca1xix—Ca2—Eu2viii | 58.69 (7) | Eu2iv—Si1—O2 | 168.6 (6) |
Ca1xix—Ca2—Eu2xiv | 100.73 (8) | Eu2iv—Si1—O3 | 77.8 (3) |
Ca1xix—Ca2—Si1 | 50.56 (12) | Eu2iv—Si1—O3ii | 77.8 (3) |
Ca1xix—Ca2—Si1xi | 141.16 (16) | O1—Si1—O2 | 113.0 (7) |
Ca1xix—Ca2—O2xv | 32.5 (3) | O1—Si1—O3 | 110.8 (5) |
Ca1xix—Ca2—O3xiii | 116.00 (15) | O1—Si1—O3ii | 110.8 (5) |
Ca1xix—Ca2—O3xvi | 69.84 (15) | O2—Si1—O3 | 108.7 (5) |
Ca1xix—Ca2—O4 | 125.87 (9) | O2—Si1—O3ii | 108.7 (5) |
Ca1xx—Ca2—Eu1xvii | 50.79 (11) | O3—Si1—O3ii | 104.5 (5) |
Ca1xx—Ca2—Eu1xviii | 83.96 (5) | Ca1—O1—Ca1ii | 92.6 (4) |
Ca1xx—Ca2—Eu1xix | 104.79 (6) | Ca1—O1—Eu1 | 0 |
Ca1xx—Ca2—Eu1xx | 0 | Ca1—O1—Eu1ii | 92.6 (4) |
Ca1xx—Ca2—Ca2iv | 150.53 (7) | Ca1—O1—Si1 | 128.2 (3) |
Ca1xx—Ca2—Ca2xi | 103.10 (5) | Ca1ii—O1—Eu1 | 92.6 (4) |
Ca1xx—Ca2—Ca2xii | 103.26 (10) | Ca1ii—O1—Eu1ii | 0 |
Ca1xx—Ca2—Ca2xiii | 60.59 (8) | Ca1ii—O1—Si1 | 128.2 (3) |
Ca1xx—Ca2—Ca2viii | 146.60 (9) | Eu1—O1—Eu1ii | 92.6 (4) |
Ca1xx—Ca2—Ca2xiv | 96.58 (8) | Eu1—O1—Si1 | 128.2 (3) |
Ca1xx—Ca2—Eu2 | 0 | Eu1ii—O1—Si1 | 128.2 (3) |
Ca1xx—Ca2—Eu2iv | 150.53 (7) | Ca1xviii—O2—Ca1xix | 90.0 (5) |
Ca1xx—Ca2—Eu2xi | 103.10 (5) | Ca1xviii—O2—Ca2v | 115.2 (3) |
Ca1xx—Ca2—Eu2xii | 103.26 (10) | Ca1xviii—O2—Eu2v | 115.2 (3) |
Ca1xx—Ca2—Eu2xiii | 60.59 (8) | Ca1xviii—O2—Si1 | 103.3 (4) |
Ca1xx—Ca2—Eu2viii | 146.60 (9) | Ca1xix—O2—Ca2v | 115.2 (3) |
Ca1xx—Ca2—Eu2xiv | 96.58 (8) | Ca1xix—O2—Eu2v | 115.2 (3) |
Ca1xx—Ca2—Si1 | 134.45 (12) | Ca1xix—O2—Si1 | 103.3 (4) |
Ca1xx—Ca2—Si1xi | 57.83 (17) | Ca2v—O2—Eu2v | 0 |
Ca1xx—Ca2—O2xv | 75.2 (4) | Ca2v—O2—Si1 | 124.0 (8) |
Ca1xx—Ca2—O3xiii | 43.3 (3) | Eu2v—O2—Si1 | 124.0 (8) |
Ca1xx—Ca2—O3xvi | 94.1 (3) | Ca2viii—O3—Eu2viii | 0 |
Ca1xx—Ca2—O4 | 129.31 (6) | Ca2viii—O3—Si1 | 141.2 (5) |
Eu1xvii—Ca2—Eu1xviii | 104.79 (6) | Eu2viii—O3—Si1 | 141.2 (5) |
Eu1xvii—Ca2—Eu1xix | 83.96 (5) | Ca2—O4—Ca2iv | 120.00 (9) |
Eu1xvii—Ca2—Eu1xx | 50.79 (11) | Ca2—O4—Ca2xi | 120.00 (10) |
Eu1xvii—Ca2—Ca2iv | 150.53 (7) | Ca2—O4—Eu2 | 0 |
Eu1xvii—Ca2—Ca2xi | 103.10 (5) | Ca2—O4—Eu2iv | 120.00 (9) |
Eu1xvii—Ca2—Ca2xii | 60.59 (8) | Ca2—O4—Eu2xi | 120.00 (10) |
Eu1xvii—Ca2—Ca2xiii | 103.26 (10) | Ca2iv—O4—Ca2xi | 120.00 (10) |
Eu1xvii—Ca2—Ca2viii | 96.58 (8) | Ca2iv—O4—Eu2 | 120.00 (9) |
Eu1xvii—Ca2—Ca2xiv | 146.60 (9) | Ca2iv—O4—Eu2iv | 0 |
Eu1xvii—Ca2—Eu2 | 0 | Ca2iv—O4—Eu2xi | 120.00 (10) |
Eu1xvii—Ca2—Eu2iv | 150.53 (7) | Ca2xi—O4—Eu2 | 120.00 (10) |
Eu1xvii—Ca2—Eu2xi | 103.10 (5) | Ca2xi—O4—Eu2iv | 120.00 (10) |
Eu1xvii—Ca2—Eu2xii | 60.59 (8) | Ca2xi—O4—Eu2xi | 0 |
Eu1xvii—Ca2—Eu2xiii | 103.26 (10) | Eu2—O4—Eu2iv | 120.00 (9) |
Eu1xvii—Ca2—Eu2viii | 96.58 (8) | Eu2—O4—Eu2xi | 120.00 (10) |
Eu1xvii—Ca2—Eu2xiv | 146.60 (9) | Eu2iv—O4—Eu2xi | 120.00 (10) |
Symmetry codes: (i) x, y, −z−1/2; (ii) x, y, −z+1/2; (iii) x, y+1, z; (iv) −y, x−y, z; (v) −x+y+1, −x+1, z; (vi) −x+1, −y+1, z−1/2; (vii) y, −x+y+1, z−1/2; (viii) x−y, x, z−1/2; (ix) −y+1, x−y+1, z; (x) −x+y, −x+1, z; (xi) −x+y, −x, z; (xii) y, −x+y, z−1/2; (xiii) y, −x+y, z+1/2; (xiv) x−y, x, z+1/2; (xv) −y+1, x−y, z; (xvi) y, −x+y, −z; (xvii) x, y−1, z; (xviii) −x+1, −y+1, z+1/2; (xix) −x+1, −y+1, −z; (xx) x, y−1, −z+1/2. |
Calcium ytterbium silicate oxyapatite (Ca-Yb)
top Crystal data top Ca2Yb8(SiO4)6O2 | Z = 1 |
Mr = 2048.7 | Dx = 6.785 Mg m−3 |
Hexagonal, P63/m | Cu Kα radiation, λ = 1.54188 Å |
a = 9.29743 (7) Å | T = 295 K |
c = 6.69748 (6) Å | white |
V = 501.38 (1) Å3 | flat_sheet, 25 × 25 mm |
Data collection top Bruker D8 Advance diffractometer | Data collection mode: reflection |
Radiation source: sealed X-ray tube | Scan method: step |
Specimen mounting: packed powder pellet | 2θmin = 10°, 2θmax = 70°, 2θstep = 0.009° |
Refinement top Rp = 0.05 | 36 parameters |
Rwp = 0.07 | Weighting scheme based on measured s.u.'s |
Rexp = 0.02 | (Δ/σ)max = 0.039 |
RBragg = 0.04 | Background function: Chebychev |
6994 data points | Preferred orientation correction: spherical harmonic |
Profile function: pseudo-Voigt | |
Special details top Refinement. Beq were fixed as 1Å squared during refinement as they result high errors |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | Occ. (<1) |
Ca1 | 0.333333 | 0.666667 | −0.0006 (8) | 0.0127* | 0.448 |
Yb1 | 0.333333 | 0.666667 | −0.0006 (8) | 0.0127* | 0.552 |
Ca2 | 0.23445 (17) | −0.0010 (3) | 0.25 | 0.0127* | 0.035 |
Yb2 | 0.23445 (17) | −0.0010 (3) | 0.25 | 0.0127* | 0.965 |
Si1 | 0.3751 (9) | 0.3955 (9) | 0.25 | 0.0127* | |
O1 | 0.1336 (14) | 0.5361 (13) | 0.25 | 0.0127* | |
O2 | 0.8349 (13) | 0.5129 (13) | 0.25 | 0.0127* | |
O3 | 0.2557 (8) | 0.3390 (7) | 0.0659 (10) | 0.0127* | |
O4 | 0 | 0 | 0.25 | 0.0127* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
? | ? | ? | ? | ? | ? | ? |
Geometric parameters (Å, º) top Ca1—Ca1i | 3.341 (8) | Yb1—Si1ix | 3.210 (7) |
Ca1—Ca1ii | 3.357 (8) | Yb1—Si1x | 3.210 (11) |
Ca1—Yb1 | 0 | Yb1—O2vi | 2.326 (7) |
Ca1—Yb1i | 3.341 (8) | Yb1—O2vii | 2.326 (11) |
Ca1—Yb1ii | 3.357 (8) | Yb1—O2viii | 2.326 (11) |
Ca1—Ca2iii | 4.006 (3) | Ca2—Ca2iv | 3.784 (5) |
Ca1—Ca2iv | 4.006 (3) | Ca2—Ca2xi | 3.784 (3) |
Ca1—Ca2v | 4.006 (4) | Ca2—Ca2xii | 3.9982 (15) |
Ca1—Ca2vi | 4.014 (3) | Ca2—Ca2xiii | 3.9982 (15) |
Ca1—Ca2vii | 4.014 (4) | Ca2—Ca2viii | 3.998 (2) |
Ca1—Ca2viii | 4.014 (3) | Ca2—Ca2xiv | 3.998 (2) |
Ca1—Yb2iii | 4.006 (3) | Ca2—Yb2 | 0 |
Ca1—Yb2iv | 4.006 (3) | Ca2—Yb2iv | 3.784 (5) |
Ca1—Yb2v | 4.006 (4) | Ca2—Yb2xi | 3.784 (3) |
Ca1—Yb2vi | 4.014 (3) | Ca2—Yb2xii | 3.9982 (15) |
Ca1—Yb2vii | 4.014 (4) | Ca2—Yb2xiii | 3.9982 (15) |
Ca1—Yb2viii | 4.014 (3) | Ca2—Yb2viii | 3.998 (2) |
Ca1—Si1 | 3.210 (9) | Ca2—Yb2xiv | 3.998 (2) |
Ca1—Si1ix | 3.210 (7) | Ca2—Si1 | 3.237 (8) |
Ca1—Si1x | 3.210 (11) | Ca2—Si1xi | 3.023 (7) |
Ca1—O1 | 2.342 (8) | Ca2—O1xi | 2.426 (19) |
Ca1—O1ix | 2.342 (13) | Ca2—O3xi | 2.403 (7) |
Ca1—O1x | 2.342 (10) | Ca2—O3xiii | 2.296 (7) |
Ca1—O2vi | 2.326 (7) | Ca2—O3xv | 2.296 (7) |
Ca1—O2vii | 2.326 (11) | Ca2—O3xvi | 2.403 (7) |
Ca1—O2viii | 2.326 (11) | Ca2—O4 | 2.184 (2) |
Yb1—Yb1i | 3.341 (8) | Yb2—Yb2iv | 3.784 (5) |
Yb1—Yb1ii | 3.357 (8) | Yb2—Yb2xi | 3.784 (3) |
Yb1—Ca2iii | 4.006 (3) | Yb2—Yb2xii | 3.9982 (15) |
Yb1—Ca2iv | 4.006 (3) | Yb2—Yb2xiii | 3.9982 (15) |
Yb1—Ca2v | 4.006 (4) | Yb2—Yb2viii | 3.998 (2) |
Yb1—Ca2vi | 4.014 (3) | Yb2—Yb2xiv | 3.998 (2) |
Yb1—Ca2vii | 4.014 (4) | Yb2—Si1 | 3.237 (8) |
Yb1—Ca2viii | 4.014 (3) | Yb2—Si1xi | 3.023 (7) |
Yb1—Yb2iii | 4.006 (3) | Yb2—O3xiii | 2.296 (7) |
Yb1—Yb2iv | 4.006 (3) | Yb2—O3xv | 2.296 (7) |
Yb1—Yb2v | 4.006 (4) | Yb2—O4 | 2.184 (2) |
Yb1—Yb2vi | 4.014 (3) | Si1—O1ix | 1.630 (18) |
Yb1—Yb2vii | 4.014 (4) | Si1—O2xvii | 1.50 (2) |
Yb1—Yb2viii | 4.014 (3) | Si1—O3 | 1.564 (8) |
Yb1—Si1 | 3.210 (9) | Si1—O3ii | 1.564 (8) |
| | | |
Ca1i—Ca1—Ca1ii | 180 | Yb1xviii—Ca2—O3xvi | 72.6 (2) |
Ca1i—Ca1—Yb1 | 0 | Yb1xviii—Ca2—O4 | 128.14 (6) |
Ca1i—Ca1—Yb1i | 0 | Yb1xix—Ca2—Yb1xx | 49.19 (10) |
Ca1i—Ca1—Yb1ii | 180 | Yb1xix—Ca2—Yb1xxi | 84.03 (5) |
Ca1i—Ca1—Ca2iii | 114.77 (7) | Yb1xix—Ca2—Ca2iv | 101.13 (6) |
Ca1i—Ca1—Ca2iv | 114.77 (7) | Yb1xix—Ca2—Ca2xi | 150.00 (8) |
Ca1i—Ca1—Ca2v | 114.77 (7) | Yb1xix—Ca2—Ca2xii | 146.51 (8) |
Ca1i—Ca1—Ca2vi | 65.41 (7) | Yb1xix—Ca2—Ca2xiii | 97.87 (7) |
Ca1i—Ca1—Ca2vii | 65.41 (7) | Yb1xix—Ca2—Ca2viii | 101.37 (8) |
Ca1i—Ca1—Ca2viii | 65.41 (7) | Yb1xix—Ca2—Ca2xiv | 60.00 (7) |
Ca1i—Ca1—Yb2iii | 114.77 (7) | Yb1xix—Ca2—Yb2 | 0 |
Ca1i—Ca1—Yb2iv | 114.77 (7) | Yb1xix—Ca2—Yb2iv | 101.13 (6) |
Ca1i—Ca1—Yb2v | 114.77 (7) | Yb1xix—Ca2—Yb2xi | 150.00 (8) |
Ca1i—Ca1—Yb2vi | 65.41 (7) | Yb1xix—Ca2—Yb2xii | 146.51 (8) |
Ca1i—Ca1—Yb2vii | 65.41 (7) | Yb1xix—Ca2—Yb2xiii | 97.87 (7) |
Ca1i—Ca1—Yb2viii | 65.41 (7) | Yb1xix—Ca2—Yb2viii | 101.37 (8) |
Ca1i—Ca1—Si1 | 121.53 (12) | Yb1xix—Ca2—Yb2xiv | 60.00 (7) |
Ca1i—Ca1—Si1ix | 121.53 (11) | Yb1xix—Ca2—Si1 | 55.95 (14) |
Ca1i—Ca1—Si1x | 121.53 (14) | Yb1xix—Ca2—Si1xi | 136.0 (2) |
Ca1i—Ca1—O1 | 135.8 (2) | Yb1xix—Ca2—O1xi | 75.2 (2) |
Ca1i—Ca1—O1ix | 135.8 (3) | Yb1xix—Ca2—O3xi | 147.4 (3) |
Ca1i—Ca1—O1x | 135.8 (2) | Yb1xix—Ca2—O3xiii | 42.54 (16) |
Ca1i—Ca1—O2vi | 44.11 (18) | Yb1xix—Ca2—O3xv | 91.72 (16) |
Ca1i—Ca1—O2vii | 44.1 (3) | Yb1xix—Ca2—O3xvi | 114.5 (2) |
Ca1i—Ca1—O2viii | 44.1 (3) | Yb1xix—Ca2—O4 | 127.70 (9) |
Ca1ii—Ca1—Yb1 | 0 | Yb1xx—Ca2—Yb1xxi | 104.16 (6) |
Ca1ii—Ca1—Yb1i | 180 | Yb1xx—Ca2—Ca2iv | 101.13 (6) |
Ca1ii—Ca1—Yb1ii | 0 | Yb1xx—Ca2—Ca2xi | 150.00 (8) |
Ca1ii—Ca1—Ca2iii | 65.23 (7) | Yb1xx—Ca2—Ca2xii | 97.87 (7) |
Ca1ii—Ca1—Ca2iv | 65.23 (7) | Yb1xx—Ca2—Ca2xiii | 146.51 (8) |
Ca1ii—Ca1—Ca2v | 65.23 (7) | Yb1xx—Ca2—Ca2viii | 60.00 (7) |
Ca1ii—Ca1—Ca2vi | 114.59 (7) | Yb1xx—Ca2—Ca2xiv | 101.37 (8) |
Ca1ii—Ca1—Ca2vii | 114.59 (7) | Yb1xx—Ca2—Yb2 | 0 |
Ca1ii—Ca1—Ca2viii | 114.59 (7) | Yb1xx—Ca2—Yb2iv | 101.13 (6) |
Ca1ii—Ca1—Yb2iii | 65.23 (7) | Yb1xx—Ca2—Yb2xi | 150.00 (8) |
Ca1ii—Ca1—Yb2iv | 65.23 (7) | Yb1xx—Ca2—Yb2xii | 97.87 (7) |
Ca1ii—Ca1—Yb2v | 65.23 (7) | Yb1xx—Ca2—Yb2xiii | 146.51 (8) |
Ca1ii—Ca1—Yb2vi | 114.59 (7) | Yb1xx—Ca2—Yb2viii | 60.00 (7) |
Ca1ii—Ca1—Yb2vii | 114.59 (7) | Yb1xx—Ca2—Yb2xiv | 101.37 (8) |
Ca1ii—Ca1—Yb2viii | 114.59 (7) | Yb1xx—Ca2—Si1 | 55.95 (14) |
Ca1ii—Ca1—Si1 | 58.47 (12) | Yb1xx—Ca2—Si1xi | 136.0 (2) |
Ca1ii—Ca1—Si1ix | 58.47 (11) | Yb1xx—Ca2—O1xi | 75.2 (2) |
Ca1ii—Ca1—Si1x | 58.47 (14) | Yb1xx—Ca2—O3xi | 114.5 (2) |
Ca1ii—Ca1—O1 | 44.2 (2) | Yb1xx—Ca2—O3xiii | 91.72 (16) |
Ca1ii—Ca1—O1ix | 44.2 (3) | Yb1xx—Ca2—O3xv | 42.54 (16) |
Ca1ii—Ca1—O1x | 44.2 (2) | Yb1xx—Ca2—O3xvi | 147.4 (3) |
Ca1ii—Ca1—O2vi | 135.89 (18) | Yb1xx—Ca2—O4 | 127.70 (9) |
Ca1ii—Ca1—O2vii | 135.9 (3) | Yb1xxi—Ca2—Ca2iv | 150.19 (6) |
Ca1ii—Ca1—O2viii | 135.9 (3) | Yb1xxi—Ca2—Ca2xi | 101.65 (6) |
Yb1—Ca1—Yb1i | 0 | Yb1xxi—Ca2—Ca2xii | 101.81 (10) |
Yb1—Ca1—Yb1ii | 0 | Yb1xxi—Ca2—Ca2xiii | 60.19 (8) |
Yb1—Ca1—Ca2iii | 0 | Yb1xxi—Ca2—Ca2viii | 146.57 (9) |
Yb1—Ca1—Ca2iv | 0 | Yb1xxi—Ca2—Ca2xiv | 97.63 (8) |
Yb1—Ca1—Ca2v | 0 | Yb1xxi—Ca2—Yb2 | 0 |
Yb1—Ca1—Ca2vi | 0 | Yb1xxi—Ca2—Yb2iv | 150.19 (6) |
Yb1—Ca1—Ca2vii | 0 | Yb1xxi—Ca2—Yb2xi | 101.65 (6) |
Yb1—Ca1—Ca2viii | 0 | Yb1xxi—Ca2—Yb2xii | 101.81 (10) |
Yb1—Ca1—Yb2iii | 0 | Yb1xxi—Ca2—Yb2xiii | 60.19 (8) |
Yb1—Ca1—Yb2iv | 0 | Yb1xxi—Ca2—Yb2viii | 146.57 (9) |
Yb1—Ca1—Yb2v | 0 | Yb1xxi—Ca2—Yb2xiv | 97.63 (8) |
Yb1—Ca1—Yb2vi | 0 | Yb1xxi—Ca2—Si1 | 139.51 (13) |
Yb1—Ca1—Yb2vii | 0 | Yb1xxi—Ca2—Si1xi | 52.1 (2) |
Yb1—Ca1—Yb2viii | 0 | Yb1xxi—Ca2—O1xi | 32.19 (17) |
Yb1—Ca1—Si1 | 0 | Yb1xxi—Ca2—O3xi | 72.6 (2) |
Yb1—Ca1—Si1ix | 0 | Yb1xxi—Ca2—O3xiii | 69.9 (3) |
Yb1—Ca1—Si1x | 0 | Yb1xxi—Ca2—O3xv | 115.3 (3) |
Yb1—Ca1—O1 | 0 | Yb1xxi—Ca2—O3xvi | 43.3 (3) |
Yb1—Ca1—O1ix | 0 | Yb1xxi—Ca2—O4 | 128.14 (6) |
Yb1—Ca1—O1x | 0 | Ca2iv—Ca2—Ca2xi | 60.00 (6) |
Yb1—Ca1—O2vi | 0 | Ca2iv—Ca2—Ca2xii | 90.00 (7) |
Yb1—Ca1—O2vii | 0 | Ca2iv—Ca2—Ca2xiii | 90.00 (7) |
Yb1—Ca1—O2viii | 0 | Ca2iv—Ca2—Ca2viii | 61.76 (6) |
Yb1i—Ca1—Yb1ii | 180 | Ca2iv—Ca2—Ca2xiv | 61.76 (6) |
Yb1i—Ca1—Ca2iii | 114.77 (7) | Ca2iv—Ca2—Yb2 | 0 |
Yb1i—Ca1—Ca2iv | 114.77 (7) | Ca2iv—Ca2—Yb2iv | 0 |
Yb1i—Ca1—Ca2v | 114.77 (7) | Ca2iv—Ca2—Yb2xi | 60.00 (6) |
Yb1i—Ca1—Ca2vi | 65.41 (7) | Ca2iv—Ca2—Yb2xii | 90.00 (7) |
Yb1i—Ca1—Ca2vii | 65.41 (7) | Ca2iv—Ca2—Yb2xiii | 90.00 (7) |
Yb1i—Ca1—Ca2viii | 65.41 (7) | Ca2iv—Ca2—Yb2viii | 61.76 (6) |
Yb1i—Ca1—Yb2iii | 114.77 (7) | Ca2iv—Ca2—Yb2xiv | 61.76 (6) |
Yb1i—Ca1—Yb2iv | 114.77 (7) | Ca2iv—Ca2—Si1 | 50.27 (16) |
Yb1i—Ca1—Yb2v | 114.77 (7) | Ca2iv—Ca2—Si1xi | 115.4 (2) |
Yb1i—Ca1—Yb2vi | 65.41 (7) | Ca2iv—Ca2—O1xi | 175.9 (3) |
Yb1i—Ca1—Yb2vii | 65.41 (7) | Ca2iv—Ca2—O3xi | 110.5 (3) |
Yb1i—Ca1—Yb2viii | 65.41 (7) | Ca2iv—Ca2—O3xiii | 94.0 (3) |
Yb1i—Ca1—Si1 | 121.53 (12) | Ca2iv—Ca2—O3xv | 94.0 (3) |
Yb1i—Ca1—Si1ix | 121.53 (11) | Ca2iv—Ca2—O3xvi | 110.5 (3) |
Yb1i—Ca1—Si1x | 121.53 (14) | Ca2iv—Ca2—O4 | 30.00 (5) |
Yb1i—Ca1—O1 | 135.8 (2) | Ca2xi—Ca2—Ca2xii | 61.76 (4) |
Yb1i—Ca1—O1ix | 135.8 (3) | Ca2xi—Ca2—Ca2xiii | 61.76 (4) |
Yb1i—Ca1—O1x | 135.8 (2) | Ca2xi—Ca2—Ca2viii | 90.00 (6) |
Yb1i—Ca1—O2vi | 44.11 (18) | Ca2xi—Ca2—Ca2xiv | 90.00 (6) |
Yb1i—Ca1—O2vii | 44.1 (3) | Ca2xi—Ca2—Yb2 | 0 |
Yb1i—Ca1—O2viii | 44.1 (3) | Ca2xi—Ca2—Yb2iv | 60.00 (6) |
Yb1ii—Ca1—Ca2iii | 65.23 (7) | Ca2xi—Ca2—Yb2xi | 0 |
Yb1ii—Ca1—Ca2iv | 65.23 (7) | Ca2xi—Ca2—Yb2xii | 61.76 (4) |
Yb1ii—Ca1—Ca2v | 65.23 (7) | Ca2xi—Ca2—Yb2xiii | 61.76 (4) |
Yb1ii—Ca1—Ca2vi | 114.59 (7) | Ca2xi—Ca2—Yb2viii | 90.00 (6) |
Yb1ii—Ca1—Ca2vii | 114.59 (7) | Ca2xi—Ca2—Yb2xiv | 90.00 (6) |
Yb1ii—Ca1—Ca2viii | 114.59 (7) | Ca2xi—Ca2—Si1 | 110.27 (17) |
Yb1ii—Ca1—Yb2iii | 65.23 (7) | Ca2xi—Ca2—Si1xi | 55.4 (2) |
Yb1ii—Ca1—Yb2iv | 65.23 (7) | Ca2xi—Ca2—O1xi | 124.1 (3) |
Yb1ii—Ca1—Yb2v | 65.23 (7) | Ca2xi—Ca2—O3xi | 59.7 (2) |
Yb1ii—Ca1—Yb2vi | 114.59 (7) | Ca2xi—Ca2—O3xiii | 111.47 (15) |
Yb1ii—Ca1—Yb2vii | 114.59 (7) | Ca2xi—Ca2—O3xv | 111.47 (15) |
Yb1ii—Ca1—Yb2viii | 114.59 (7) | Ca2xi—Ca2—O3xvi | 59.7 (2) |
Yb1ii—Ca1—Si1 | 58.47 (12) | Ca2xi—Ca2—O4 | 30.00 (4) |
Yb1ii—Ca1—Si1ix | 58.47 (11) | Ca2xii—Ca2—Ca2xiii | 113.77 (5) |
Yb1ii—Ca1—Si1x | 58.47 (14) | Ca2xii—Ca2—Ca2viii | 56.48 (4) |
Yb1ii—Ca1—O1 | 44.2 (2) | Ca2xii—Ca2—Ca2xiv | 148.29 (9) |
Yb1ii—Ca1—O1ix | 44.2 (3) | Ca2xii—Ca2—Yb2 | 0 |
Yb1ii—Ca1—O1x | 44.2 (2) | Ca2xii—Ca2—Yb2iv | 90.00 (7) |
Yb1ii—Ca1—O2vi | 135.89 (18) | Ca2xii—Ca2—Yb2xi | 61.76 (4) |
Yb1ii—Ca1—O2vii | 135.9 (3) | Ca2xii—Ca2—Yb2xii | 0 |
Yb1ii—Ca1—O2viii | 135.9 (3) | Ca2xii—Ca2—Yb2xiii | 113.77 (5) |
Ca2iii—Ca1—Ca2iv | 103.69 (10) | Ca2xii—Ca2—Yb2viii | 56.48 (4) |
Ca2iii—Ca1—Ca2v | 103.69 (9) | Ca2xii—Ca2—Yb2xiv | 148.29 (9) |
Ca2iii—Ca1—Ca2vi | 95.97 (4) | Ca2xii—Ca2—Si1 | 114.84 (9) |
Ca2iii—Ca1—Ca2vii | 59.81 (4) | Ca2xii—Ca2—Si1xi | 60.44 (8) |
Ca2iii—Ca1—Ca2viii | 157.21 (5) | Ca2xii—Ca2—O1xi | 92.24 (16) |
Ca2iii—Ca1—Yb2iii | 0 | Ca2xii—Ca2—O3xi | 30.91 (19) |
Ca2iii—Ca1—Yb2iv | 103.69 (10) | Ca2xii—Ca2—O3xiii | 168.7 (2) |
Ca2iii—Ca1—Yb2v | 103.69 (9) | Ca2xii—Ca2—O3xv | 55.76 (15) |
Ca2iii—Ca1—Yb2vi | 95.97 (4) | Ca2xii—Ca2—O3xvi | 90.09 (17) |
Ca2iii—Ca1—Yb2vii | 59.81 (4) | Ca2xii—Ca2—O4 | 74.15 (5) |
Ca2iii—Ca1—Yb2viii | 157.21 (5) | Ca2xiii—Ca2—Ca2viii | 148.29 (9) |
Ca2iii—Ca1—Si1 | 123.45 (18) | Ca2xiii—Ca2—Ca2xiv | 56.48 (4) |
Ca2iii—Ca1—Si1ix | 57.4 (2) | Ca2xiii—Ca2—Yb2 | 0 |
Ca2iii—Ca1—Si1x | 47.98 (14) | Ca2xiii—Ca2—Yb2iv | 90.00 (7) |
Ca2iii—Ca1—O1 | 70.8 (3) | Ca2xiii—Ca2—Yb2xi | 61.76 (4) |
Ca2iii—Ca1—O1ix | 105.2 (4) | Ca2xiii—Ca2—Yb2xii | 113.77 (5) |
Ca2iii—Ca1—O1x | 33.5 (4) | Ca2xiii—Ca2—Yb2xiii | 0 |
Ca2iii—Ca1—O2vi | 121.5 (4) | Ca2xiii—Ca2—Yb2viii | 148.29 (9) |
Ca2iii—Ca1—O2vii | 134.6 (4) | Ca2xiii—Ca2—Yb2xiv | 56.48 (4) |
Ca2iii—Ca1—O2viii | 71.2 (3) | Ca2xiii—Ca2—Si1 | 114.84 (9) |
Ca2iv—Ca1—Ca2v | 103.69 (9) | Ca2xiii—Ca2—Si1xi | 60.44 (8) |
Ca2iv—Ca1—Ca2vi | 157.21 (7) | Ca2xiii—Ca2—O1xi | 92.24 (16) |
Ca2iv—Ca1—Ca2vii | 95.97 (5) | Ca2xiii—Ca2—O3xi | 90.09 (17) |
Ca2iv—Ca1—Ca2viii | 59.81 (4) | Ca2xiii—Ca2—O3xiii | 55.76 (15) |
Ca2iv—Ca1—Yb2iii | 103.69 (10) | Ca2xiii—Ca2—O3xv | 168.7 (2) |
Ca2iv—Ca1—Yb2iv | 0 | Ca2xiii—Ca2—O3xvi | 30.91 (19) |
Ca2iv—Ca1—Yb2v | 103.69 (9) | Ca2xiii—Ca2—O4 | 74.15 (5) |
Ca2iv—Ca1—Yb2vi | 157.21 (7) | Ca2viii—Ca2—Ca2xiv | 113.77 (8) |
Ca2iv—Ca1—Yb2vii | 95.97 (5) | Ca2viii—Ca2—Yb2 | 0 |
Ca2iv—Ca1—Yb2viii | 59.81 (4) | Ca2viii—Ca2—Yb2iv | 61.76 (6) |
Ca2iv—Ca1—Si1 | 47.98 (14) | Ca2viii—Ca2—Yb2xi | 90.00 (6) |
Ca2iv—Ca1—Si1ix | 123.45 (17) | Ca2viii—Ca2—Yb2xii | 56.48 (4) |
Ca2iv—Ca1—Si1x | 57.38 (16) | Ca2viii—Ca2—Yb2xiii | 148.29 (9) |
Ca2iv—Ca1—O1 | 33.5 (3) | Ca2viii—Ca2—Yb2viii | 0 |
Ca2iv—Ca1—O1ix | 70.8 (3) | Ca2viii—Ca2—Yb2xiv | 113.77 (8) |
Ca2iv—Ca1—O1x | 105.2 (3) | Ca2viii—Ca2—Si1 | 59.17 (5) |
Ca2iv—Ca1—O2vi | 71.17 (17) | Ca2viii—Ca2—Si1xi | 116.74 (9) |
Ca2iv—Ca1—O2vii | 121.5 (4) | Ca2viii—Ca2—O1xi | 116.90 (10) |
Ca2iv—Ca1—O2viii | 134.6 (3) | Ca2viii—Ca2—O3xi | 87.13 (18) |
Ca2v—Ca1—Ca2vi | 59.81 (3) | Ca2viii—Ca2—O3xiii | 134.4 (2) |
Ca2v—Ca1—Ca2vii | 157.21 (4) | Ca2viii—Ca2—O3xv | 32.5 (3) |
Ca2v—Ca1—Ca2viii | 95.97 (5) | Ca2viii—Ca2—O3xvi | 144.04 (19) |
Ca2v—Ca1—Yb2iii | 103.69 (9) | Ca2viii—Ca2—O4 | 74.15 (7) |
Ca2v—Ca1—Yb2iv | 103.69 (9) | Ca2xiv—Ca2—Yb2 | 0 |
Ca2v—Ca1—Yb2v | 0 | Ca2xiv—Ca2—Yb2iv | 61.76 (6) |
Ca2v—Ca1—Yb2vi | 59.81 (3) | Ca2xiv—Ca2—Yb2xi | 90.00 (6) |
Ca2v—Ca1—Yb2vii | 157.21 (4) | Ca2xiv—Ca2—Yb2xii | 148.29 (9) |
Ca2v—Ca1—Yb2viii | 95.97 (5) | Ca2xiv—Ca2—Yb2xiii | 56.48 (4) |
Ca2v—Ca1—Si1 | 57.38 (12) | Ca2xiv—Ca2—Yb2viii | 113.77 (8) |
Ca2v—Ca1—Si1ix | 48.0 (2) | Ca2xiv—Ca2—Yb2xiv | 0 |
Ca2v—Ca1—Si1x | 123.45 (19) | Ca2xiv—Ca2—Si1 | 59.17 (5) |
Ca2v—Ca1—O1 | 105.2 (3) | Ca2xiv—Ca2—Si1xi | 116.74 (9) |
Ca2v—Ca1—O1ix | 33.5 (2) | Ca2xiv—Ca2—O1xi | 116.90 (10) |
Ca2v—Ca1—O1x | 70.8 (5) | Ca2xiv—Ca2—O3xi | 144.04 (19) |
Ca2v—Ca1—O2vi | 134.6 (4) | Ca2xiv—Ca2—O3xiii | 32.5 (3) |
Ca2v—Ca1—O2vii | 71.2 (2) | Ca2xiv—Ca2—O3xv | 134.4 (2) |
Ca2v—Ca1—O2viii | 121.5 (3) | Ca2xiv—Ca2—O3xvi | 87.13 (18) |
Ca2vi—Ca1—Ca2vii | 103.90 (9) | Ca2xiv—Ca2—O4 | 74.15 (7) |
Ca2vi—Ca1—Ca2viii | 103.90 (9) | Yb2—Ca2—Yb2iv | 0 |
Ca2vi—Ca1—Yb2iii | 95.97 (4) | Yb2—Ca2—Yb2xi | 0 |
Ca2vi—Ca1—Yb2iv | 157.21 (7) | Yb2—Ca2—Yb2xii | 0 |
Ca2vi—Ca1—Yb2v | 59.81 (3) | Yb2—Ca2—Yb2xiii | 0 |
Ca2vi—Ca1—Yb2vi | 0 | Yb2—Ca2—Yb2viii | 0 |
Ca2vi—Ca1—Yb2vii | 103.90 (9) | Yb2—Ca2—Yb2xiv | 0 |
Ca2vi—Ca1—Yb2viii | 103.90 (9) | Yb2—Ca2—Si1 | 0 |
Ca2vi—Ca1—Si1 | 111.00 (13) | Yb2—Ca2—Si1xi | 0 |
Ca2vi—Ca1—Si1ix | 59.15 (8) | Yb2—Ca2—O1xi | 0 |
Ca2vi—Ca1—Si1x | 143.83 (15) | Yb2—Ca2—O3xi | 0 |
Ca2vi—Ca1—O1 | 158.0 (2) | Yb2—Ca2—O3xiii | 0 |
Ca2vi—Ca1—O1ix | 93.2 (2) | Yb2—Ca2—O3xv | 0 |
Ca2vi—Ca1—O1x | 85.0 (3) | Yb2—Ca2—O3xvi | 0 |
Ca2vi—Ca1—O2vi | 108.1 (2) | Yb2—Ca2—O4 | 0 |
Ca2vi—Ca1—O2vii | 41.3 (3) | Yb2iv—Ca2—Yb2xi | 60.00 (6) |
Ca2vi—Ca1—O2viii | 62.9 (4) | Yb2iv—Ca2—Yb2xii | 90.00 (7) |
Ca2vii—Ca1—Ca2viii | 103.90 (10) | Yb2iv—Ca2—Yb2xiii | 90.00 (7) |
Ca2vii—Ca1—Yb2iii | 59.81 (4) | Yb2iv—Ca2—Yb2viii | 61.76 (6) |
Ca2vii—Ca1—Yb2iv | 95.97 (5) | Yb2iv—Ca2—Yb2xiv | 61.76 (6) |
Ca2vii—Ca1—Yb2v | 157.21 (4) | Yb2iv—Ca2—Si1 | 50.27 (16) |
Ca2vii—Ca1—Yb2vi | 103.90 (9) | Yb2iv—Ca2—Si1xi | 115.4 (2) |
Ca2vii—Ca1—Yb2vii | 0 | Yb2iv—Ca2—O1xi | 175.9 (3) |
Ca2vii—Ca1—Yb2viii | 103.90 (10) | Yb2iv—Ca2—O3xi | 110.5 (3) |
Ca2vii—Ca1—Si1 | 143.83 (13) | Yb2iv—Ca2—O3xiii | 94.0 (3) |
Ca2vii—Ca1—Si1ix | 111.0 (2) | Yb2iv—Ca2—O3xv | 94.0 (3) |
Ca2vii—Ca1—Si1x | 59.15 (14) | Yb2iv—Ca2—O3xvi | 110.5 (3) |
Ca2vii—Ca1—O1 | 85.0 (3) | Yb2iv—Ca2—O4 | 30.00 (5) |
Ca2vii—Ca1—O1ix | 158.0 (3) | Yb2xi—Ca2—Yb2xii | 61.76 (4) |
Ca2vii—Ca1—O1x | 93.2 (4) | Yb2xi—Ca2—Yb2xiii | 61.76 (4) |
Ca2vii—Ca1—O2vi | 62.9 (4) | Yb2xi—Ca2—Yb2viii | 90.00 (6) |
Ca2vii—Ca1—O2vii | 108.1 (3) | Yb2xi—Ca2—Yb2xiv | 90.00 (6) |
Ca2vii—Ca1—O2viii | 41.3 (4) | Yb2xi—Ca2—Si1 | 110.27 (17) |
Ca2viii—Ca1—Yb2iii | 157.21 (5) | Yb2xi—Ca2—Si1xi | 55.4 (2) |
Ca2viii—Ca1—Yb2iv | 59.81 (4) | Yb2xi—Ca2—O1xi | 124.1 (3) |
Ca2viii—Ca1—Yb2v | 95.97 (5) | Yb2xi—Ca2—O3xi | 59.7 (2) |
Ca2viii—Ca1—Yb2vi | 103.90 (9) | Yb2xi—Ca2—O3xiii | 111.47 (15) |
Ca2viii—Ca1—Yb2vii | 103.90 (10) | Yb2xi—Ca2—O3xv | 111.47 (15) |
Ca2viii—Ca1—Yb2viii | 0 | Yb2xi—Ca2—O3xvi | 59.7 (2) |
Ca2viii—Ca1—Si1 | 59.15 (8) | Yb2xi—Ca2—O4 | 30.00 (4) |
Ca2viii—Ca1—Si1ix | 143.8 (2) | Yb2xii—Ca2—Yb2xiii | 113.77 (5) |
Ca2viii—Ca1—Si1x | 111.00 (13) | Yb2xii—Ca2—Yb2viii | 56.48 (4) |
Ca2viii—Ca1—O1 | 93.2 (3) | Yb2xii—Ca2—Yb2xiv | 148.29 (9) |
Ca2viii—Ca1—O1ix | 85.0 (4) | Yb2xii—Ca2—Si1 | 114.84 (9) |
Ca2viii—Ca1—O1x | 158.0 (3) | Yb2xii—Ca2—Si1xi | 60.44 (8) |
Ca2viii—Ca1—O2vi | 41.3 (4) | Yb2xii—Ca2—O1xi | 92.24 (16) |
Ca2viii—Ca1—O2vii | 62.9 (4) | Yb2xii—Ca2—O3xi | 30.91 (19) |
Ca2viii—Ca1—O2viii | 108.1 (3) | Yb2xii—Ca2—O3xiii | 168.7 (2) |
Yb2iii—Ca1—Yb2iv | 103.69 (10) | Yb2xii—Ca2—O3xv | 55.76 (15) |
Yb2iii—Ca1—Yb2v | 103.69 (9) | Yb2xii—Ca2—O3xvi | 90.09 (17) |
Yb2iii—Ca1—Yb2vi | 95.97 (4) | Yb2xii—Ca2—O4 | 74.15 (5) |
Yb2iii—Ca1—Yb2vii | 59.81 (4) | Yb2xiii—Ca2—Yb2viii | 148.29 (9) |
Yb2iii—Ca1—Yb2viii | 157.21 (5) | Yb2xiii—Ca2—Yb2xiv | 56.48 (4) |
Yb2iii—Ca1—Si1 | 123.45 (18) | Yb2xiii—Ca2—Si1 | 114.84 (9) |
Yb2iii—Ca1—Si1ix | 57.4 (2) | Yb2xiii—Ca2—Si1xi | 60.44 (8) |
Yb2iii—Ca1—Si1x | 47.98 (14) | Yb2xiii—Ca2—O1xi | 92.24 (16) |
Yb2iii—Ca1—O1 | 70.8 (3) | Yb2xiii—Ca2—O3xi | 90.09 (17) |
Yb2iii—Ca1—O1ix | 105.2 (4) | Yb2xiii—Ca2—O3xiii | 55.76 (15) |
Yb2iii—Ca1—O1x | 33.5 (4) | Yb2xiii—Ca2—O3xv | 168.7 (2) |
Yb2iii—Ca1—O2vi | 121.5 (4) | Yb2xiii—Ca2—O3xvi | 30.91 (19) |
Yb2iii—Ca1—O2vii | 134.6 (4) | Yb2xiii—Ca2—O4 | 74.15 (5) |
Yb2iii—Ca1—O2viii | 71.2 (3) | Yb2viii—Ca2—Yb2xiv | 113.77 (8) |
Yb2iv—Ca1—Yb2v | 103.69 (9) | Yb2viii—Ca2—Si1 | 59.17 (5) |
Yb2iv—Ca1—Yb2vi | 157.21 (7) | Yb2viii—Ca2—Si1xi | 116.74 (9) |
Yb2iv—Ca1—Yb2vii | 95.97 (5) | Yb2viii—Ca2—O1xi | 116.90 (10) |
Yb2iv—Ca1—Yb2viii | 59.81 (4) | Yb2viii—Ca2—O3xi | 87.13 (18) |
Yb2iv—Ca1—Si1 | 47.98 (14) | Yb2viii—Ca2—O3xiii | 134.4 (2) |
Yb2iv—Ca1—Si1ix | 123.45 (17) | Yb2viii—Ca2—O3xv | 32.5 (3) |
Yb2iv—Ca1—Si1x | 57.38 (16) | Yb2viii—Ca2—O3xvi | 144.04 (19) |
Yb2iv—Ca1—O1 | 33.5 (3) | Yb2viii—Ca2—O4 | 74.15 (7) |
Yb2iv—Ca1—O1ix | 70.8 (3) | Yb2xiv—Ca2—Si1 | 59.17 (5) |
Yb2iv—Ca1—O1x | 105.2 (3) | Yb2xiv—Ca2—Si1xi | 116.74 (9) |
Yb2iv—Ca1—O2vi | 71.17 (17) | Yb2xiv—Ca2—O1xi | 116.90 (10) |
Yb2iv—Ca1—O2vii | 121.5 (4) | Yb2xiv—Ca2—O3xi | 144.04 (19) |
Yb2iv—Ca1—O2viii | 134.6 (3) | Yb2xiv—Ca2—O3xiii | 32.5 (3) |
Yb2v—Ca1—Yb2vi | 59.81 (3) | Yb2xiv—Ca2—O3xv | 134.4 (2) |
Yb2v—Ca1—Yb2vii | 157.21 (4) | Yb2xiv—Ca2—O3xvi | 87.13 (18) |
Yb2v—Ca1—Yb2viii | 95.97 (5) | Yb2xiv—Ca2—O4 | 74.15 (7) |
Yb2v—Ca1—Si1 | 57.38 (12) | Si1—Ca2—Si1xi | 165.7 (3) |
Yb2v—Ca1—Si1ix | 48.0 (2) | Si1—Ca2—O1xi | 125.6 (3) |
Yb2v—Ca1—Si1x | 123.45 (19) | Si1—Ca2—O3xi | 145.7 (2) |
Yb2v—Ca1—O1 | 105.2 (3) | Si1—Ca2—O3xiii | 75.5 (2) |
Yb2v—Ca1—O1ix | 33.5 (2) | Si1—Ca2—O3xv | 75.5 (2) |
Yb2v—Ca1—O1x | 70.8 (5) | Si1—Ca2—O3xvi | 145.7 (2) |
Yb2v—Ca1—O2vi | 134.6 (4) | Si1—Ca2—O4 | 80.27 (18) |
Yb2v—Ca1—O2vii | 71.2 (2) | Si1xi—Ca2—O1xi | 68.7 (4) |
Yb2v—Ca1—O2viii | 121.5 (3) | Si1xi—Ca2—O3xi | 30.90 (16) |
Yb2vi—Ca1—Yb2vii | 103.90 (9) | Si1xi—Ca2—O3xiii | 108.4 (2) |
Yb2vi—Ca1—Yb2viii | 103.90 (9) | Si1xi—Ca2—O3xv | 108.4 (2) |
Yb2vi—Ca1—Si1 | 111.00 (13) | Si1xi—Ca2—O3xvi | 30.90 (16) |
Yb2vi—Ca1—Si1ix | 59.15 (8) | Si1xi—Ca2—O4 | 85.4 (2) |
Yb2vi—Ca1—Si1x | 143.83 (15) | O1xi—Ca2—O3xi | 73.0 (3) |
Yb2vi—Ca1—O1 | 158.0 (2) | O1xi—Ca2—O3xiii | 84.4 (3) |
Yb2vi—Ca1—O1ix | 93.2 (2) | O1xi—Ca2—O3xv | 84.4 (3) |
Yb2vi—Ca1—O1x | 85.0 (3) | O1xi—Ca2—O3xvi | 73.0 (3) |
Yb2vi—Ca1—O2vi | 108.1 (2) | O1xi—Ca2—O4 | 154.1 (3) |
Yb2vi—Ca1—O2vii | 41.3 (3) | O3xi—Ca2—O3xiii | 138.4 (3) |
Yb2vi—Ca1—O2viii | 62.9 (4) | O3xi—Ca2—O3xv | 78.6 (2) |
Yb2vii—Ca1—Yb2viii | 103.90 (10) | O3xi—Ca2—O3xvi | 61.7 (2) |
Yb2vii—Ca1—Si1 | 143.83 (13) | O3xi—Ca2—O4 | 84.9 (3) |
Yb2vii—Ca1—Si1ix | 111.0 (2) | O3xiii—Ca2—O3xv | 134.2 (2) |
Yb2vii—Ca1—Si1x | 59.15 (14) | O3xiii—Ca2—O3xvi | 78.6 (2) |
Yb2vii—Ca1—O1 | 85.0 (3) | O3xiii—Ca2—O4 | 104.6 (2) |
Yb2vii—Ca1—O1ix | 158.0 (3) | O3xv—Ca2—O3xvi | 138.4 (3) |
Yb2vii—Ca1—O1x | 93.2 (4) | O3xv—Ca2—O4 | 104.6 (2) |
Yb2vii—Ca1—O2vi | 62.9 (4) | O3xvi—Ca2—O4 | 84.9 (3) |
Yb2vii—Ca1—O2vii | 108.1 (3) | Ca1xviii—Yb2—Ca1xix | 104.16 (6) |
Yb2vii—Ca1—O2viii | 41.3 (4) | Ca1xviii—Yb2—Ca1xx | 84.03 (5) |
Yb2viii—Ca1—Si1 | 59.15 (8) | Ca1xviii—Yb2—Ca1xxi | 49.54 (10) |
Yb2viii—Ca1—Si1ix | 143.8 (2) | Ca1xviii—Yb2—Yb1xviii | 0 |
Yb2viii—Ca1—Si1x | 111.00 (13) | Ca1xviii—Yb2—Yb1xix | 104.16 (6) |
Yb2viii—Ca1—O1 | 93.2 (3) | Ca1xviii—Yb2—Yb1xx | 84.03 (5) |
Yb2viii—Ca1—O1ix | 85.0 (4) | Ca1xviii—Yb2—Yb1xxi | 49.54 (10) |
Yb2viii—Ca1—O1x | 158.0 (3) | Ca1xviii—Yb2—Ca2 | 0 |
Yb2viii—Ca1—O2vi | 41.3 (4) | Ca1xviii—Yb2—Ca2iv | 150.19 (6) |
Yb2viii—Ca1—O2vii | 62.9 (4) | Ca1xviii—Yb2—Ca2xi | 101.65 (6) |
Yb2viii—Ca1—O2viii | 108.1 (3) | Ca1xviii—Yb2—Ca2xii | 60.19 (8) |
Si1—Ca1—Si1ix | 95.2 (2) | Ca1xviii—Yb2—Ca2xiii | 101.81 (10) |
Si1—Ca1—Si1x | 95.2 (2) | Ca1xviii—Yb2—Ca2viii | 97.63 (8) |
Si1—Ca1—O1 | 66.1 (4) | Ca1xviii—Yb2—Ca2xiv | 146.57 (9) |
Si1—Ca1—O1ix | 29.2 (4) | Ca1xviii—Yb2—Yb2iv | 150.19 (6) |
Si1—Ca1—O1x | 98.9 (4) | Ca1xviii—Yb2—Yb2xi | 101.65 (6) |
Si1—Ca1—O2vi | 96.5 (3) | Ca1xviii—Yb2—Yb2xii | 60.19 (8) |
Si1—Ca1—O2vii | 92.6 (4) | Ca1xviii—Yb2—Yb2xiii | 101.81 (10) |
Si1—Ca1—O2viii | 165.3 (4) | Ca1xviii—Yb2—Yb2viii | 97.63 (8) |
Si1ix—Ca1—Si1x | 95.2 (2) | Ca1xviii—Yb2—Yb2xiv | 146.57 (9) |
Si1ix—Ca1—O1 | 98.9 (2) | Ca1xviii—Yb2—Si1 | 139.51 (13) |
Si1ix—Ca1—O1ix | 66.1 (4) | Ca1xviii—Yb2—Si1xi | 52.1 (2) |
Si1ix—Ca1—O1x | 29.2 (4) | Ca1xviii—Yb2—O3xiii | 115.3 (3) |
Si1ix—Ca1—O2vi | 165.3 (3) | Ca1xviii—Yb2—O3xv | 69.9 (3) |
Si1ix—Ca1—O2vii | 96.5 (3) | Ca1xviii—Yb2—O4 | 128.14 (6) |
Si1ix—Ca1—O2viii | 92.6 (3) | Ca1xix—Yb2—Ca1xx | 49.19 (10) |
Si1x—Ca1—O1 | 29.2 (4) | Ca1xix—Yb2—Ca1xxi | 84.03 (5) |
Si1x—Ca1—O1ix | 98.9 (3) | Ca1xix—Yb2—Yb1xviii | 104.16 (6) |
Si1x—Ca1—O1x | 66.1 (4) | Ca1xix—Yb2—Yb1xix | 0 |
Si1x—Ca1—O2vi | 92.6 (3) | Ca1xix—Yb2—Yb1xx | 49.19 (10) |
Si1x—Ca1—O2vii | 165.3 (3) | Ca1xix—Yb2—Yb1xxi | 84.03 (5) |
Si1x—Ca1—O2viii | 96.5 (4) | Ca1xix—Yb2—Ca2 | 0 |
O1—Ca1—O1ix | 74.3 (4) | Ca1xix—Yb2—Ca2iv | 101.13 (6) |
O1—Ca1—O1x | 74.3 (4) | Ca1xix—Yb2—Ca2xi | 150.00 (8) |
O1—Ca1—O2vi | 93.9 (2) | Ca1xix—Yb2—Ca2xii | 146.51 (8) |
O1—Ca1—O2vii | 154.6 (5) | Ca1xix—Yb2—Ca2xiii | 97.87 (7) |
O1—Ca1—O2viii | 124.9 (5) | Ca1xix—Yb2—Ca2viii | 101.37 (8) |
O1ix—Ca1—O1x | 74.3 (6) | Ca1xix—Yb2—Ca2xiv | 60.00 (7) |
O1ix—Ca1—O2vi | 124.9 (5) | Ca1xix—Yb2—Yb2iv | 101.13 (6) |
O1ix—Ca1—O2vii | 93.9 (4) | Ca1xix—Yb2—Yb2xi | 150.00 (8) |
O1ix—Ca1—O2viii | 154.6 (4) | Ca1xix—Yb2—Yb2xii | 146.51 (8) |
O1x—Ca1—O2vi | 154.6 (6) | Ca1xix—Yb2—Yb2xiii | 97.87 (7) |
O1x—Ca1—O2vii | 124.9 (4) | Ca1xix—Yb2—Yb2viii | 101.37 (8) |
O1x—Ca1—O2viii | 93.9 (4) | Ca1xix—Yb2—Yb2xiv | 60.00 (7) |
O2vi—Ca1—O2vii | 74.1 (4) | Ca1xix—Yb2—Si1 | 55.95 (14) |
O2vi—Ca1—O2viii | 74.1 (4) | Ca1xix—Yb2—Si1xi | 136.0 (2) |
O2vii—Ca1—O2viii | 74.1 (6) | Ca1xix—Yb2—O3xiii | 42.54 (16) |
Ca1—Yb1—Ca1i | 0 | Ca1xix—Yb2—O3xv | 91.72 (16) |
Ca1—Yb1—Ca1ii | 0 | Ca1xix—Yb2—O4 | 127.70 (9) |
Ca1—Yb1—Yb1i | 0 | Ca1xx—Yb2—Ca1xxi | 104.16 (6) |
Ca1—Yb1—Yb1ii | 0 | Ca1xx—Yb2—Yb1xviii | 84.03 (5) |
Ca1—Yb1—Ca2iii | 0 | Ca1xx—Yb2—Yb1xix | 49.19 (10) |
Ca1—Yb1—Ca2iv | 0 | Ca1xx—Yb2—Yb1xx | 0 |
Ca1—Yb1—Ca2v | 0 | Ca1xx—Yb2—Yb1xxi | 104.16 (6) |
Ca1—Yb1—Ca2vi | 0 | Ca1xx—Yb2—Ca2 | 0 |
Ca1—Yb1—Ca2vii | 0 | Ca1xx—Yb2—Ca2iv | 101.13 (6) |
Ca1—Yb1—Ca2viii | 0 | Ca1xx—Yb2—Ca2xi | 150.00 (8) |
Ca1—Yb1—Yb2iii | 0 | Ca1xx—Yb2—Ca2xii | 97.87 (7) |
Ca1—Yb1—Yb2iv | 0 | Ca1xx—Yb2—Ca2xiii | 146.51 (8) |
Ca1—Yb1—Yb2v | 0 | Ca1xx—Yb2—Ca2viii | 60.00 (7) |
Ca1—Yb1—Yb2vi | 0 | Ca1xx—Yb2—Ca2xiv | 101.37 (8) |
Ca1—Yb1—Yb2vii | 0 | Ca1xx—Yb2—Yb2iv | 101.13 (6) |
Ca1—Yb1—Yb2viii | 0 | Ca1xx—Yb2—Yb2xi | 150.00 (8) |
Ca1—Yb1—Si1 | 0 | Ca1xx—Yb2—Yb2xii | 97.87 (7) |
Ca1—Yb1—Si1ix | 0 | Ca1xx—Yb2—Yb2xiii | 146.51 (8) |
Ca1—Yb1—Si1x | 0 | Ca1xx—Yb2—Yb2viii | 60.00 (7) |
Ca1—Yb1—O2vi | 0 | Ca1xx—Yb2—Yb2xiv | 101.37 (8) |
Ca1—Yb1—O2vii | 0 | Ca1xx—Yb2—Si1 | 55.95 (14) |
Ca1—Yb1—O2viii | 0 | Ca1xx—Yb2—Si1xi | 136.0 (2) |
Ca1i—Yb1—Ca1ii | 180 | Ca1xx—Yb2—O3xiii | 91.72 (16) |
Ca1i—Yb1—Yb1i | 0 | Ca1xx—Yb2—O3xv | 42.54 (16) |
Ca1i—Yb1—Yb1ii | 180 | Ca1xx—Yb2—O4 | 127.70 (9) |
Ca1i—Yb1—Ca2iii | 114.77 (7) | Ca1xxi—Yb2—Yb1xviii | 49.54 (10) |
Ca1i—Yb1—Ca2iv | 114.77 (7) | Ca1xxi—Yb2—Yb1xix | 84.03 (5) |
Ca1i—Yb1—Ca2v | 114.77 (7) | Ca1xxi—Yb2—Yb1xx | 104.16 (6) |
Ca1i—Yb1—Ca2vi | 65.41 (7) | Ca1xxi—Yb2—Yb1xxi | 0 |
Ca1i—Yb1—Ca2vii | 65.41 (7) | Ca1xxi—Yb2—Ca2 | 0 |
Ca1i—Yb1—Ca2viii | 65.41 (7) | Ca1xxi—Yb2—Ca2iv | 150.19 (6) |
Ca1i—Yb1—Yb2iii | 114.77 (7) | Ca1xxi—Yb2—Ca2xi | 101.65 (6) |
Ca1i—Yb1—Yb2iv | 114.77 (7) | Ca1xxi—Yb2—Ca2xii | 101.81 (10) |
Ca1i—Yb1—Yb2v | 114.77 (7) | Ca1xxi—Yb2—Ca2xiii | 60.19 (8) |
Ca1i—Yb1—Yb2vi | 65.41 (7) | Ca1xxi—Yb2—Ca2viii | 146.57 (9) |
Ca1i—Yb1—Yb2vii | 65.41 (7) | Ca1xxi—Yb2—Ca2xiv | 97.63 (8) |
Ca1i—Yb1—Yb2viii | 65.41 (7) | Ca1xxi—Yb2—Yb2iv | 150.19 (6) |
Ca1i—Yb1—Si1 | 121.53 (12) | Ca1xxi—Yb2—Yb2xi | 101.65 (6) |
Ca1i—Yb1—Si1ix | 121.53 (11) | Ca1xxi—Yb2—Yb2xii | 101.81 (10) |
Ca1i—Yb1—Si1x | 121.53 (14) | Ca1xxi—Yb2—Yb2xiii | 60.19 (8) |
Ca1i—Yb1—O2vi | 44.11 (18) | Ca1xxi—Yb2—Yb2viii | 146.57 (9) |
Ca1i—Yb1—O2vii | 44.1 (3) | Ca1xxi—Yb2—Yb2xiv | 97.63 (8) |
Ca1i—Yb1—O2viii | 44.1 (3) | Ca1xxi—Yb2—Si1 | 139.51 (13) |
Ca1ii—Yb1—Yb1i | 180 | Ca1xxi—Yb2—Si1xi | 52.1 (2) |
Ca1ii—Yb1—Yb1ii | 0 | Ca1xxi—Yb2—O3xiii | 69.9 (3) |
Ca1ii—Yb1—Ca2iii | 65.23 (7) | Ca1xxi—Yb2—O3xv | 115.3 (3) |
Ca1ii—Yb1—Ca2iv | 65.23 (7) | Ca1xxi—Yb2—O4 | 128.14 (6) |
Ca1ii—Yb1—Ca2v | 65.23 (7) | Yb1xviii—Yb2—Yb1xix | 104.16 (6) |
Ca1ii—Yb1—Ca2vi | 114.59 (7) | Yb1xviii—Yb2—Yb1xx | 84.03 (5) |
Ca1ii—Yb1—Ca2vii | 114.59 (7) | Yb1xviii—Yb2—Yb1xxi | 49.54 (10) |
Ca1ii—Yb1—Ca2viii | 114.59 (7) | Yb1xviii—Yb2—Ca2 | 0 |
Ca1ii—Yb1—Yb2iii | 65.23 (7) | Yb1xviii—Yb2—Ca2iv | 150.19 (6) |
Ca1ii—Yb1—Yb2iv | 65.23 (7) | Yb1xviii—Yb2—Ca2xi | 101.65 (6) |
Ca1ii—Yb1—Yb2v | 65.23 (7) | Yb1xviii—Yb2—Ca2xii | 60.19 (8) |
Ca1ii—Yb1—Yb2vi | 114.59 (7) | Yb1xviii—Yb2—Ca2xiii | 101.81 (10) |
Ca1ii—Yb1—Yb2vii | 114.59 (7) | Yb1xviii—Yb2—Ca2viii | 97.63 (8) |
Ca1ii—Yb1—Yb2viii | 114.59 (7) | Yb1xviii—Yb2—Ca2xiv | 146.57 (9) |
Ca1ii—Yb1—Si1 | 58.47 (12) | Yb1xviii—Yb2—Yb2iv | 150.19 (6) |
Ca1ii—Yb1—Si1ix | 58.47 (11) | Yb1xviii—Yb2—Yb2xi | 101.65 (6) |
Ca1ii—Yb1—Si1x | 58.47 (14) | Yb1xviii—Yb2—Yb2xii | 60.19 (8) |
Ca1ii—Yb1—O2vi | 135.89 (18) | Yb1xviii—Yb2—Yb2xiii | 101.81 (10) |
Ca1ii—Yb1—O2vii | 135.9 (3) | Yb1xviii—Yb2—Yb2viii | 97.63 (8) |
Ca1ii—Yb1—O2viii | 135.9 (3) | Yb1xviii—Yb2—Yb2xiv | 146.57 (9) |
Yb1i—Yb1—Yb1ii | 180 | Yb1xviii—Yb2—Si1 | 139.51 (13) |
Yb1i—Yb1—Ca2iii | 114.77 (7) | Yb1xviii—Yb2—Si1xi | 52.1 (2) |
Yb1i—Yb1—Ca2iv | 114.77 (7) | Yb1xviii—Yb2—O3xiii | 115.3 (3) |
Yb1i—Yb1—Ca2v | 114.77 (7) | Yb1xviii—Yb2—O3xv | 69.9 (3) |
Yb1i—Yb1—Ca2vi | 65.41 (7) | Yb1xviii—Yb2—O4 | 128.14 (6) |
Yb1i—Yb1—Ca2vii | 65.41 (7) | Yb1xix—Yb2—Yb1xx | 49.19 (10) |
Yb1i—Yb1—Ca2viii | 65.41 (7) | Yb1xix—Yb2—Yb1xxi | 84.03 (5) |
Yb1i—Yb1—Yb2iii | 114.77 (7) | Yb1xix—Yb2—Ca2 | 0 |
Yb1i—Yb1—Yb2iv | 114.77 (7) | Yb1xix—Yb2—Ca2iv | 101.13 (6) |
Yb1i—Yb1—Yb2v | 114.77 (7) | Yb1xix—Yb2—Ca2xi | 150.00 (8) |
Yb1i—Yb1—Yb2vi | 65.41 (7) | Yb1xix—Yb2—Ca2xii | 146.51 (8) |
Yb1i—Yb1—Yb2vii | 65.41 (7) | Yb1xix—Yb2—Ca2xiii | 97.87 (7) |
Yb1i—Yb1—Yb2viii | 65.41 (7) | Yb1xix—Yb2—Ca2viii | 101.37 (8) |
Yb1i—Yb1—Si1 | 121.53 (12) | Yb1xix—Yb2—Ca2xiv | 60.00 (7) |
Yb1i—Yb1—Si1ix | 121.53 (11) | Yb1xix—Yb2—Yb2iv | 101.13 (6) |
Yb1i—Yb1—Si1x | 121.53 (14) | Yb1xix—Yb2—Yb2xi | 150.00 (8) |
Yb1i—Yb1—O2vi | 44.11 (18) | Yb1xix—Yb2—Yb2xii | 146.51 (8) |
Yb1i—Yb1—O2vii | 44.1 (3) | Yb1xix—Yb2—Yb2xiii | 97.87 (7) |
Yb1i—Yb1—O2viii | 44.1 (3) | Yb1xix—Yb2—Yb2viii | 101.37 (8) |
Yb1ii—Yb1—Ca2iii | 65.23 (7) | Yb1xix—Yb2—Yb2xiv | 60.00 (7) |
Yb1ii—Yb1—Ca2iv | 65.23 (7) | Yb1xix—Yb2—Si1 | 55.95 (14) |
Yb1ii—Yb1—Ca2v | 65.23 (7) | Yb1xix—Yb2—Si1xi | 136.0 (2) |
Yb1ii—Yb1—Ca2vi | 114.59 (7) | Yb1xix—Yb2—O3xiii | 42.54 (16) |
Yb1ii—Yb1—Ca2vii | 114.59 (7) | Yb1xix—Yb2—O3xv | 91.72 (16) |
Yb1ii—Yb1—Ca2viii | 114.59 (7) | Yb1xix—Yb2—O4 | 127.70 (9) |
Yb1ii—Yb1—Yb2iii | 65.23 (7) | Yb1xx—Yb2—Yb1xxi | 104.16 (6) |
Yb1ii—Yb1—Yb2iv | 65.23 (7) | Yb1xx—Yb2—Ca2 | 0 |
Yb1ii—Yb1—Yb2v | 65.23 (7) | Yb1xx—Yb2—Ca2iv | 101.13 (6) |
Yb1ii—Yb1—Yb2vi | 114.59 (7) | Yb1xx—Yb2—Ca2xi | 150.00 (8) |
Yb1ii—Yb1—Yb2vii | 114.59 (7) | Yb1xx—Yb2—Ca2xii | 97.87 (7) |
Yb1ii—Yb1—Yb2viii | 114.59 (7) | Yb1xx—Yb2—Ca2xiii | 146.51 (8) |
Yb1ii—Yb1—Si1 | 58.47 (12) | Yb1xx—Yb2—Ca2viii | 60.00 (7) |
Yb1ii—Yb1—Si1ix | 58.47 (11) | Yb1xx—Yb2—Ca2xiv | 101.37 (8) |
Yb1ii—Yb1—Si1x | 58.47 (14) | Yb1xx—Yb2—Yb2iv | 101.13 (6) |
Yb1ii—Yb1—O2vi | 135.89 (18) | Yb1xx—Yb2—Yb2xi | 150.00 (8) |
Yb1ii—Yb1—O2vii | 135.9 (3) | Yb1xx—Yb2—Yb2xii | 97.87 (7) |
Yb1ii—Yb1—O2viii | 135.9 (3) | Yb1xx—Yb2—Yb2xiii | 146.51 (8) |
Ca2iii—Yb1—Ca2iv | 103.69 (10) | Yb1xx—Yb2—Yb2viii | 60.00 (7) |
Ca2iii—Yb1—Ca2v | 103.69 (9) | Yb1xx—Yb2—Yb2xiv | 101.37 (8) |
Ca2iii—Yb1—Ca2vi | 95.97 (4) | Yb1xx—Yb2—Si1 | 55.95 (14) |
Ca2iii—Yb1—Ca2vii | 59.81 (4) | Yb1xx—Yb2—Si1xi | 136.0 (2) |
Ca2iii—Yb1—Ca2viii | 157.21 (5) | Yb1xx—Yb2—O3xiii | 91.72 (16) |
Ca2iii—Yb1—Yb2iii | 0 | Yb1xx—Yb2—O3xv | 42.54 (16) |
Ca2iii—Yb1—Yb2iv | 103.69 (10) | Yb1xx—Yb2—O4 | 127.70 (9) |
Ca2iii—Yb1—Yb2v | 103.69 (9) | Yb1xxi—Yb2—Ca2 | 0 |
Ca2iii—Yb1—Yb2vi | 95.97 (4) | Yb1xxi—Yb2—Ca2iv | 150.19 (6) |
Ca2iii—Yb1—Yb2vii | 59.81 (4) | Yb1xxi—Yb2—Ca2xi | 101.65 (6) |
Ca2iii—Yb1—Yb2viii | 157.21 (5) | Yb1xxi—Yb2—Ca2xii | 101.81 (10) |
Ca2iii—Yb1—Si1 | 123.45 (18) | Yb1xxi—Yb2—Ca2xiii | 60.19 (8) |
Ca2iii—Yb1—Si1ix | 57.4 (2) | Yb1xxi—Yb2—Ca2viii | 146.57 (9) |
Ca2iii—Yb1—Si1x | 47.98 (14) | Yb1xxi—Yb2—Ca2xiv | 97.63 (8) |
Ca2iii—Yb1—O2vi | 121.5 (4) | Yb1xxi—Yb2—Yb2iv | 150.19 (6) |
Ca2iii—Yb1—O2vii | 134.6 (4) | Yb1xxi—Yb2—Yb2xi | 101.65 (6) |
Ca2iii—Yb1—O2viii | 71.2 (3) | Yb1xxi—Yb2—Yb2xii | 101.81 (10) |
Ca2iv—Yb1—Ca2v | 103.69 (9) | Yb1xxi—Yb2—Yb2xiii | 60.19 (8) |
Ca2iv—Yb1—Ca2vi | 157.21 (7) | Yb1xxi—Yb2—Yb2viii | 146.57 (9) |
Ca2iv—Yb1—Ca2vii | 95.97 (5) | Yb1xxi—Yb2—Yb2xiv | 97.63 (8) |
Ca2iv—Yb1—Ca2viii | 59.81 (4) | Yb1xxi—Yb2—Si1 | 139.51 (13) |
Ca2iv—Yb1—Yb2iii | 103.69 (10) | Yb1xxi—Yb2—Si1xi | 52.1 (2) |
Ca2iv—Yb1—Yb2iv | 0 | Yb1xxi—Yb2—O3xiii | 69.9 (3) |
Ca2iv—Yb1—Yb2v | 103.69 (9) | Yb1xxi—Yb2—O3xv | 115.3 (3) |
Ca2iv—Yb1—Yb2vi | 157.21 (7) | Yb1xxi—Yb2—O4 | 128.14 (6) |
Ca2iv—Yb1—Yb2vii | 95.97 (5) | Ca2—Yb2—Ca2iv | 0 |
Ca2iv—Yb1—Yb2viii | 59.81 (4) | Ca2—Yb2—Ca2xi | 0 |
Ca2iv—Yb1—Si1 | 47.98 (14) | Ca2—Yb2—Ca2xii | 0 |
Ca2iv—Yb1—Si1ix | 123.45 (17) | Ca2—Yb2—Ca2xiii | 0 |
Ca2iv—Yb1—Si1x | 57.38 (16) | Ca2—Yb2—Ca2viii | 0 |
Ca2iv—Yb1—O2vi | 71.17 (17) | Ca2—Yb2—Ca2xiv | 0 |
Ca2iv—Yb1—O2vii | 121.5 (4) | Ca2—Yb2—Yb2iv | 0 |
Ca2iv—Yb1—O2viii | 134.6 (3) | Ca2—Yb2—Yb2xi | 0 |
Ca2v—Yb1—Ca2vi | 59.81 (3) | Ca2—Yb2—Yb2xii | 0 |
Ca2v—Yb1—Ca2vii | 157.21 (4) | Ca2—Yb2—Yb2xiii | 0 |
Ca2v—Yb1—Ca2viii | 95.97 (5) | Ca2—Yb2—Yb2viii | 0 |
Ca2v—Yb1—Yb2iii | 103.69 (9) | Ca2—Yb2—Yb2xiv | 0 |
Ca2v—Yb1—Yb2iv | 103.69 (9) | Ca2—Yb2—Si1 | 0 |
Ca2v—Yb1—Yb2v | 0 | Ca2—Yb2—Si1xi | 0 |
Ca2v—Yb1—Yb2vi | 59.81 (3) | Ca2—Yb2—O3xiii | 0 |
Ca2v—Yb1—Yb2vii | 157.21 (4) | Ca2—Yb2—O3xv | 0 |
Ca2v—Yb1—Yb2viii | 95.97 (5) | Ca2—Yb2—O4 | 0 |
Ca2v—Yb1—Si1 | 57.38 (12) | Ca2iv—Yb2—Ca2xi | 60.00 (6) |
Ca2v—Yb1—Si1ix | 48.0 (2) | Ca2iv—Yb2—Ca2xii | 90.00 (7) |
Ca2v—Yb1—Si1x | 123.45 (19) | Ca2iv—Yb2—Ca2xiii | 90.00 (7) |
Ca2v—Yb1—O2vi | 134.6 (4) | Ca2iv—Yb2—Ca2viii | 61.76 (6) |
Ca2v—Yb1—O2vii | 71.2 (2) | Ca2iv—Yb2—Ca2xiv | 61.76 (6) |
Ca2v—Yb1—O2viii | 121.5 (3) | Ca2iv—Yb2—Yb2iv | 0 |
Ca2vi—Yb1—Ca2vii | 103.90 (9) | Ca2iv—Yb2—Yb2xi | 60.00 (6) |
Ca2vi—Yb1—Ca2viii | 103.90 (9) | Ca2iv—Yb2—Yb2xii | 90.00 (7) |
Ca2vi—Yb1—Yb2iii | 95.97 (4) | Ca2iv—Yb2—Yb2xiii | 90.00 (7) |
Ca2vi—Yb1—Yb2iv | 157.21 (7) | Ca2iv—Yb2—Yb2viii | 61.76 (6) |
Ca2vi—Yb1—Yb2v | 59.81 (3) | Ca2iv—Yb2—Yb2xiv | 61.76 (6) |
Ca2vi—Yb1—Yb2vi | 0 | Ca2iv—Yb2—Si1 | 50.27 (16) |
Ca2vi—Yb1—Yb2vii | 103.90 (9) | Ca2iv—Yb2—Si1xi | 115.4 (2) |
Ca2vi—Yb1—Yb2viii | 103.90 (9) | Ca2iv—Yb2—O3xiii | 94.0 (3) |
Ca2vi—Yb1—Si1 | 111.00 (13) | Ca2iv—Yb2—O3xv | 94.0 (3) |
Ca2vi—Yb1—Si1ix | 59.15 (8) | Ca2iv—Yb2—O4 | 30.00 (5) |
Ca2vi—Yb1—Si1x | 143.83 (15) | Ca2xi—Yb2—Ca2xii | 61.76 (4) |
Ca2vi—Yb1—O2vi | 108.1 (2) | Ca2xi—Yb2—Ca2xiii | 61.76 (4) |
Ca2vi—Yb1—O2vii | 41.3 (3) | Ca2xi—Yb2—Ca2viii | 90.00 (6) |
Ca2vi—Yb1—O2viii | 62.9 (4) | Ca2xi—Yb2—Ca2xiv | 90.00 (6) |
Ca2vii—Yb1—Ca2viii | 103.90 (10) | Ca2xi—Yb2—Yb2iv | 60.00 (6) |
Ca2vii—Yb1—Yb2iii | 59.81 (4) | Ca2xi—Yb2—Yb2xi | 0 |
Ca2vii—Yb1—Yb2iv | 95.97 (5) | Ca2xi—Yb2—Yb2xii | 61.76 (4) |
Ca2vii—Yb1—Yb2v | 157.21 (4) | Ca2xi—Yb2—Yb2xiii | 61.76 (4) |
Ca2vii—Yb1—Yb2vi | 103.90 (9) | Ca2xi—Yb2—Yb2viii | 90.00 (6) |
Ca2vii—Yb1—Yb2vii | 0 | Ca2xi—Yb2—Yb2xiv | 90.00 (6) |
Ca2vii—Yb1—Yb2viii | 103.90 (10) | Ca2xi—Yb2—Si1 | 110.27 (17) |
Ca2vii—Yb1—Si1 | 143.83 (13) | Ca2xi—Yb2—Si1xi | 55.4 (2) |
Ca2vii—Yb1—Si1ix | 111.0 (2) | Ca2xi—Yb2—O3xiii | 111.47 (15) |
Ca2vii—Yb1—Si1x | 59.15 (14) | Ca2xi—Yb2—O3xv | 111.47 (15) |
Ca2vii—Yb1—O2vi | 62.9 (4) | Ca2xi—Yb2—O4 | 30.00 (4) |
Ca2vii—Yb1—O2vii | 108.1 (3) | Ca2xii—Yb2—Ca2xiii | 113.77 (5) |
Ca2vii—Yb1—O2viii | 41.3 (4) | Ca2xii—Yb2—Ca2viii | 56.48 (4) |
Ca2viii—Yb1—Yb2iii | 157.21 (5) | Ca2xii—Yb2—Ca2xiv | 148.29 (9) |
Ca2viii—Yb1—Yb2iv | 59.81 (4) | Ca2xii—Yb2—Yb2iv | 90.00 (7) |
Ca2viii—Yb1—Yb2v | 95.97 (5) | Ca2xii—Yb2—Yb2xi | 61.76 (4) |
Ca2viii—Yb1—Yb2vi | 103.90 (9) | Ca2xii—Yb2—Yb2xii | 0 |
Ca2viii—Yb1—Yb2vii | 103.90 (10) | Ca2xii—Yb2—Yb2xiii | 113.77 (5) |
Ca2viii—Yb1—Yb2viii | 0 | Ca2xii—Yb2—Yb2viii | 56.48 (4) |
Ca2viii—Yb1—Si1 | 59.15 (8) | Ca2xii—Yb2—Yb2xiv | 148.29 (9) |
Ca2viii—Yb1—Si1ix | 143.8 (2) | Ca2xii—Yb2—Si1 | 114.84 (9) |
Ca2viii—Yb1—Si1x | 111.00 (13) | Ca2xii—Yb2—Si1xi | 60.44 (8) |
Ca2viii—Yb1—O2vi | 41.3 (4) | Ca2xii—Yb2—O3xiii | 168.7 (2) |
Ca2viii—Yb1—O2vii | 62.9 (4) | Ca2xii—Yb2—O3xv | 55.76 (15) |
Ca2viii—Yb1—O2viii | 108.1 (3) | Ca2xii—Yb2—O4 | 74.15 (5) |
Yb2iii—Yb1—Yb2iv | 103.69 (10) | Ca2xiii—Yb2—Ca2viii | 148.29 (9) |
Yb2iii—Yb1—Yb2v | 103.69 (9) | Ca2xiii—Yb2—Ca2xiv | 56.48 (4) |
Yb2iii—Yb1—Yb2vi | 95.97 (4) | Ca2xiii—Yb2—Yb2iv | 90.00 (7) |
Yb2iii—Yb1—Yb2vii | 59.81 (4) | Ca2xiii—Yb2—Yb2xi | 61.76 (4) |
Yb2iii—Yb1—Yb2viii | 157.21 (5) | Ca2xiii—Yb2—Yb2xii | 113.77 (5) |
Yb2iii—Yb1—Si1 | 123.45 (18) | Ca2xiii—Yb2—Yb2xiii | 0 |
Yb2iii—Yb1—Si1ix | 57.4 (2) | Ca2xiii—Yb2—Yb2viii | 148.29 (9) |
Yb2iii—Yb1—Si1x | 47.98 (14) | Ca2xiii—Yb2—Yb2xiv | 56.48 (4) |
Yb2iii—Yb1—O2vi | 121.5 (4) | Ca2xiii—Yb2—Si1 | 114.84 (9) |
Yb2iii—Yb1—O2vii | 134.6 (4) | Ca2xiii—Yb2—Si1xi | 60.44 (8) |
Yb2iii—Yb1—O2viii | 71.2 (3) | Ca2xiii—Yb2—O3xiii | 55.76 (15) |
Yb2iv—Yb1—Yb2v | 103.69 (9) | Ca2xiii—Yb2—O3xv | 168.7 (2) |
Yb2iv—Yb1—Yb2vi | 157.21 (7) | Ca2xiii—Yb2—O4 | 74.15 (5) |
Yb2iv—Yb1—Yb2vii | 95.97 (5) | Ca2viii—Yb2—Ca2xiv | 113.77 (8) |
Yb2iv—Yb1—Yb2viii | 59.81 (4) | Ca2viii—Yb2—Yb2iv | 61.76 (6) |
Yb2iv—Yb1—Si1 | 47.98 (14) | Ca2viii—Yb2—Yb2xi | 90.00 (6) |
Yb2iv—Yb1—Si1ix | 123.45 (17) | Ca2viii—Yb2—Yb2xii | 56.48 (4) |
Yb2iv—Yb1—Si1x | 57.38 (16) | Ca2viii—Yb2—Yb2xiii | 148.29 (9) |
Yb2iv—Yb1—O2vi | 71.17 (17) | Ca2viii—Yb2—Yb2viii | 0 |
Yb2iv—Yb1—O2vii | 121.5 (4) | Ca2viii—Yb2—Yb2xiv | 113.77 (8) |
Yb2iv—Yb1—O2viii | 134.6 (3) | Ca2viii—Yb2—Si1 | 59.17 (5) |
Yb2v—Yb1—Yb2vi | 59.81 (3) | Ca2viii—Yb2—Si1xi | 116.74 (9) |
Yb2v—Yb1—Yb2vii | 157.21 (4) | Ca2viii—Yb2—O3xiii | 134.4 (2) |
Yb2v—Yb1—Yb2viii | 95.97 (5) | Ca2viii—Yb2—O3xv | 32.5 (3) |
Yb2v—Yb1—Si1 | 57.38 (12) | Ca2viii—Yb2—O4 | 74.15 (7) |
Yb2v—Yb1—Si1ix | 48.0 (2) | Ca2xiv—Yb2—Yb2iv | 61.76 (6) |
Yb2v—Yb1—Si1x | 123.45 (19) | Ca2xiv—Yb2—Yb2xi | 90.00 (6) |
Yb2v—Yb1—O2vi | 134.6 (4) | Ca2xiv—Yb2—Yb2xii | 148.29 (9) |
Yb2v—Yb1—O2vii | 71.2 (2) | Ca2xiv—Yb2—Yb2xiii | 56.48 (4) |
Yb2v—Yb1—O2viii | 121.5 (3) | Ca2xiv—Yb2—Yb2viii | 113.77 (8) |
Yb2vi—Yb1—Yb2vii | 103.90 (9) | Ca2xiv—Yb2—Yb2xiv | 0 |
Yb2vi—Yb1—Yb2viii | 103.90 (9) | Ca2xiv—Yb2—Si1 | 59.17 (5) |
Yb2vi—Yb1—Si1 | 111.00 (13) | Ca2xiv—Yb2—Si1xi | 116.74 (9) |
Yb2vi—Yb1—Si1ix | 59.15 (8) | Ca2xiv—Yb2—O3xiii | 32.5 (3) |
Yb2vi—Yb1—Si1x | 143.83 (15) | Ca2xiv—Yb2—O3xv | 134.4 (2) |
Yb2vi—Yb1—O2vi | 108.1 (2) | Ca2xiv—Yb2—O4 | 74.15 (7) |
Yb2vi—Yb1—O2vii | 41.3 (3) | Yb2iv—Yb2—Yb2xi | 60.00 (6) |
Yb2vi—Yb1—O2viii | 62.9 (4) | Yb2iv—Yb2—Yb2xii | 90.00 (7) |
Yb2vii—Yb1—Yb2viii | 103.90 (10) | Yb2iv—Yb2—Yb2xiii | 90.00 (7) |
Yb2vii—Yb1—Si1 | 143.83 (13) | Yb2iv—Yb2—Yb2viii | 61.76 (6) |
Yb2vii—Yb1—Si1ix | 111.0 (2) | Yb2iv—Yb2—Yb2xiv | 61.76 (6) |
Yb2vii—Yb1—Si1x | 59.15 (14) | Yb2iv—Yb2—Si1 | 50.27 (16) |
Yb2vii—Yb1—O2vi | 62.9 (4) | Yb2iv—Yb2—Si1xi | 115.4 (2) |
Yb2vii—Yb1—O2vii | 108.1 (3) | Yb2iv—Yb2—O3xiii | 94.0 (3) |
Yb2vii—Yb1—O2viii | 41.3 (4) | Yb2iv—Yb2—O3xv | 94.0 (3) |
Yb2viii—Yb1—Si1 | 59.15 (8) | Yb2iv—Yb2—O4 | 30.00 (5) |
Yb2viii—Yb1—Si1ix | 143.8 (2) | Yb2xi—Yb2—Yb2xii | 61.76 (4) |
Yb2viii—Yb1—Si1x | 111.00 (13) | Yb2xi—Yb2—Yb2xiii | 61.76 (4) |
Yb2viii—Yb1—O2vi | 41.3 (4) | Yb2xi—Yb2—Yb2viii | 90.00 (6) |
Yb2viii—Yb1—O2vii | 62.9 (4) | Yb2xi—Yb2—Yb2xiv | 90.00 (6) |
Yb2viii—Yb1—O2viii | 108.1 (3) | Yb2xi—Yb2—Si1 | 110.27 (17) |
Si1—Yb1—Si1ix | 95.2 (2) | Yb2xi—Yb2—Si1xi | 55.4 (2) |
Si1—Yb1—Si1x | 95.2 (2) | Yb2xi—Yb2—O3xiii | 111.47 (15) |
Si1—Yb1—O2vi | 96.5 (3) | Yb2xi—Yb2—O3xv | 111.47 (15) |
Si1—Yb1—O2vii | 92.6 (4) | Yb2xi—Yb2—O4 | 30.00 (4) |
Si1—Yb1—O2viii | 165.3 (4) | Yb2xii—Yb2—Yb2xiii | 113.77 (5) |
Si1ix—Yb1—Si1x | 95.2 (2) | Yb2xii—Yb2—Yb2viii | 56.48 (4) |
Si1ix—Yb1—O2vi | 165.3 (3) | Yb2xii—Yb2—Yb2xiv | 148.29 (9) |
Si1ix—Yb1—O2vii | 96.5 (3) | Yb2xii—Yb2—Si1 | 114.84 (9) |
Si1ix—Yb1—O2viii | 92.6 (3) | Yb2xii—Yb2—Si1xi | 60.44 (8) |
Si1x—Yb1—O2vi | 92.6 (3) | Yb2xii—Yb2—O3xiii | 168.7 (2) |
Si1x—Yb1—O2vii | 165.3 (3) | Yb2xii—Yb2—O3xv | 55.76 (15) |
Si1x—Yb1—O2viii | 96.5 (4) | Yb2xii—Yb2—O4 | 74.15 (5) |
O2vi—Yb1—O2vii | 74.1 (4) | Yb2xiii—Yb2—Yb2viii | 148.29 (9) |
O2vi—Yb1—O2viii | 74.1 (4) | Yb2xiii—Yb2—Yb2xiv | 56.48 (4) |
O2vii—Yb1—O2viii | 74.1 (6) | Yb2xiii—Yb2—Si1 | 114.84 (9) |
Ca1xviii—Ca2—Ca1xix | 104.16 (6) | Yb2xiii—Yb2—Si1xi | 60.44 (8) |
Ca1xviii—Ca2—Ca1xx | 84.03 (5) | Yb2xiii—Yb2—O3xiii | 55.76 (15) |
Ca1xviii—Ca2—Ca1xxi | 49.54 (10) | Yb2xiii—Yb2—O3xv | 168.7 (2) |
Ca1xviii—Ca2—Yb1xviii | 0 | Yb2xiii—Yb2—O4 | 74.15 (5) |
Ca1xviii—Ca2—Yb1xix | 104.16 (6) | Yb2viii—Yb2—Yb2xiv | 113.77 (8) |
Ca1xviii—Ca2—Yb1xx | 84.03 (5) | Yb2viii—Yb2—Si1 | 59.17 (5) |
Ca1xviii—Ca2—Yb1xxi | 49.54 (10) | Yb2viii—Yb2—Si1xi | 116.74 (9) |
Ca1xviii—Ca2—Ca2iv | 150.19 (6) | Yb2viii—Yb2—O3xiii | 134.4 (2) |
Ca1xviii—Ca2—Ca2xi | 101.65 (6) | Yb2viii—Yb2—O3xv | 32.5 (3) |
Ca1xviii—Ca2—Ca2xii | 60.19 (8) | Yb2viii—Yb2—O4 | 74.15 (7) |
Ca1xviii—Ca2—Ca2xiii | 101.81 (10) | Yb2xiv—Yb2—Si1 | 59.17 (5) |
Ca1xviii—Ca2—Ca2viii | 97.63 (8) | Yb2xiv—Yb2—Si1xi | 116.74 (9) |
Ca1xviii—Ca2—Ca2xiv | 146.57 (9) | Yb2xiv—Yb2—O3xiii | 32.5 (3) |
Ca1xviii—Ca2—Yb2 | 0 | Yb2xiv—Yb2—O3xv | 134.4 (2) |
Ca1xviii—Ca2—Yb2iv | 150.19 (6) | Yb2xiv—Yb2—O4 | 74.15 (7) |
Ca1xviii—Ca2—Yb2xi | 101.65 (6) | Si1—Yb2—Si1xi | 165.7 (3) |
Ca1xviii—Ca2—Yb2xii | 60.19 (8) | Si1—Yb2—O3xiii | 75.5 (2) |
Ca1xviii—Ca2—Yb2xiii | 101.81 (10) | Si1—Yb2—O3xv | 75.5 (2) |
Ca1xviii—Ca2—Yb2viii | 97.63 (8) | Si1—Yb2—O4 | 80.27 (18) |
Ca1xviii—Ca2—Yb2xiv | 146.57 (9) | Si1xi—Yb2—O3xiii | 108.4 (2) |
Ca1xviii—Ca2—Si1 | 139.51 (13) | Si1xi—Yb2—O3xv | 108.4 (2) |
Ca1xviii—Ca2—Si1xi | 52.1 (2) | Si1xi—Yb2—O4 | 85.4 (2) |
Ca1xviii—Ca2—O1xi | 32.19 (17) | O3xiii—Yb2—O3xv | 134.2 (2) |
Ca1xviii—Ca2—O3xi | 43.3 (3) | O3xiii—Yb2—O4 | 104.6 (2) |
Ca1xviii—Ca2—O3xiii | 115.3 (3) | O3xv—Yb2—O4 | 104.6 (2) |
Ca1xviii—Ca2—O3xv | 69.9 (3) | Ca1—Si1—Ca1ii | 63.1 (2) |
Ca1xviii—Ca2—O3xvi | 72.6 (2) | Ca1—Si1—Yb1 | 0 |
Ca1xviii—Ca2—O4 | 128.14 (6) | Ca1—Si1—Yb1ii | 63.1 (2) |
Ca1xix—Ca2—Ca1xx | 49.19 (10) | Ca1—Si1—Ca2 | 139.10 (16) |
Ca1xix—Ca2—Ca1xxi | 84.03 (5) | Ca1—Si1—Ca2iv | 79.9 (2) |
Ca1xix—Ca2—Yb1xviii | 104.16 (6) | Ca1—Si1—Yb2 | 139.10 (16) |
Ca1xix—Ca2—Yb1xix | 0 | Ca1—Si1—Yb2iv | 79.9 (2) |
Ca1xix—Ca2—Yb1xx | 49.19 (10) | Ca1—Si1—O1ix | 44.4 (4) |
Ca1xix—Ca2—Yb1xxi | 84.03 (5) | Ca1—Si1—O2xvii | 137.7 (3) |
Ca1xix—Ca2—Ca2iv | 101.13 (6) | Ca1—Si1—O3 | 60.5 (4) |
Ca1xix—Ca2—Ca2xi | 150.00 (8) | Ca1—Si1—O3ii | 109.4 (6) |
Ca1xix—Ca2—Ca2xii | 146.51 (8) | Ca1ii—Si1—Yb1 | 63.1 (2) |
Ca1xix—Ca2—Ca2xiii | 97.87 (7) | Ca1ii—Si1—Yb1ii | 0 |
Ca1xix—Ca2—Ca2viii | 101.37 (8) | Ca1ii—Si1—Ca2 | 139.10 (16) |
Ca1xix—Ca2—Ca2xiv | 60.00 (7) | Ca1ii—Si1—Ca2iv | 79.9 (2) |
Ca1xix—Ca2—Yb2 | 0 | Ca1ii—Si1—Yb2 | 139.10 (16) |
Ca1xix—Ca2—Yb2iv | 101.13 (6) | Ca1ii—Si1—Yb2iv | 79.9 (2) |
Ca1xix—Ca2—Yb2xi | 150.00 (8) | Ca1ii—Si1—O1ix | 44.4 (4) |
Ca1xix—Ca2—Yb2xii | 146.51 (8) | Ca1ii—Si1—O2xvii | 137.7 (3) |
Ca1xix—Ca2—Yb2xiii | 97.87 (7) | Ca1ii—Si1—O3 | 109.4 (6) |
Ca1xix—Ca2—Yb2viii | 101.37 (8) | Ca1ii—Si1—O3ii | 60.5 (4) |
Ca1xix—Ca2—Yb2xiv | 60.00 (7) | Yb1—Si1—Yb1ii | 63.1 (2) |
Ca1xix—Ca2—Si1 | 55.95 (14) | Yb1—Si1—Ca2 | 139.10 (16) |
Ca1xix—Ca2—Si1xi | 136.0 (2) | Yb1—Si1—Ca2iv | 79.9 (2) |
Ca1xix—Ca2—O1xi | 75.2 (2) | Yb1—Si1—Yb2 | 139.10 (16) |
Ca1xix—Ca2—O3xi | 147.4 (3) | Yb1—Si1—Yb2iv | 79.9 (2) |
Ca1xix—Ca2—O3xiii | 42.54 (16) | Yb1—Si1—O1ix | 44.4 (4) |
Ca1xix—Ca2—O3xv | 91.72 (16) | Yb1—Si1—O2xvii | 137.7 (3) |
Ca1xix—Ca2—O3xvi | 114.5 (2) | Yb1—Si1—O3 | 60.5 (4) |
Ca1xix—Ca2—O4 | 127.70 (9) | Yb1—Si1—O3ii | 109.4 (6) |
Ca1xx—Ca2—Ca1xxi | 104.16 (6) | Yb1ii—Si1—Ca2 | 139.10 (16) |
Ca1xx—Ca2—Yb1xviii | 84.03 (5) | Yb1ii—Si1—Ca2iv | 79.9 (2) |
Ca1xx—Ca2—Yb1xix | 49.19 (10) | Yb1ii—Si1—Yb2 | 139.10 (16) |
Ca1xx—Ca2—Yb1xx | 0 | Yb1ii—Si1—Yb2iv | 79.9 (2) |
Ca1xx—Ca2—Yb1xxi | 104.16 (6) | Yb1ii—Si1—O1ix | 44.4 (4) |
Ca1xx—Ca2—Ca2iv | 101.13 (6) | Yb1ii—Si1—O2xvii | 137.7 (3) |
Ca1xx—Ca2—Ca2xi | 150.00 (8) | Yb1ii—Si1—O3 | 109.4 (6) |
Ca1xx—Ca2—Ca2xii | 97.87 (7) | Yb1ii—Si1—O3ii | 60.5 (4) |
Ca1xx—Ca2—Ca2xiii | 146.51 (8) | Ca2—Si1—Ca2iv | 74.29 (15) |
Ca1xx—Ca2—Ca2viii | 60.00 (7) | Ca2—Si1—Yb2 | 0 |
Ca1xx—Ca2—Ca2xiv | 101.37 (8) | Ca2—Si1—Yb2iv | 74.29 (15) |
Ca1xx—Ca2—Yb2 | 0 | Ca2—Si1—O1ix | 174.5 (7) |
Ca1xx—Ca2—Yb2iv | 101.13 (6) | Ca2—Si1—O2xvii | 57.3 (5) |
Ca1xx—Ca2—Yb2xi | 150.00 (8) | Ca2—Si1—O3 | 78.6 (4) |
Ca1xx—Ca2—Yb2xii | 97.87 (7) | Ca2—Si1—O3ii | 78.6 (4) |
Ca1xx—Ca2—Yb2xiii | 146.51 (8) | Ca2iv—Si1—Yb2 | 74.29 (15) |
Ca1xx—Ca2—Yb2viii | 60.00 (7) | Ca2iv—Si1—Yb2iv | 0 |
Ca1xx—Ca2—Yb2xiv | 101.37 (8) | Ca2iv—Si1—O1ix | 111.2 (7) |
Ca1xx—Ca2—Si1 | 55.95 (14) | Ca2iv—Si1—O2xvii | 131.6 (6) |
Ca1xx—Ca2—Si1xi | 136.0 (2) | Ca2iv—Si1—O3 | 52.1 (3) |
Ca1xx—Ca2—O1xi | 75.2 (2) | Ca2iv—Si1—O3ii | 52.1 (3) |
Ca1xx—Ca2—O3xi | 114.5 (2) | Yb2—Si1—Yb2iv | 74.29 (15) |
Ca1xx—Ca2—O3xiii | 91.72 (16) | Yb2—Si1—O1ix | 174.5 (7) |
Ca1xx—Ca2—O3xv | 42.54 (16) | Yb2—Si1—O2xvii | 57.3 (5) |
Ca1xx—Ca2—O3xvi | 147.4 (3) | Yb2—Si1—O3 | 78.6 (4) |
Ca1xx—Ca2—O4 | 127.70 (9) | Yb2—Si1—O3ii | 78.6 (4) |
Ca1xxi—Ca2—Yb1xviii | 49.54 (10) | Yb2iv—Si1—O1ix | 111.2 (7) |
Ca1xxi—Ca2—Yb1xix | 84.03 (5) | Yb2iv—Si1—O2xvii | 131.6 (6) |
Ca1xxi—Ca2—Yb1xx | 104.16 (6) | Yb2iv—Si1—O3 | 52.1 (3) |
Ca1xxi—Ca2—Yb1xxi | 0 | Yb2iv—Si1—O3ii | 52.1 (3) |
Ca1xxi—Ca2—Ca2iv | 150.19 (6) | O1ix—Si1—O2xvii | 117.2 (8) |
Ca1xxi—Ca2—Ca2xi | 101.65 (6) | O1ix—Si1—O3 | 104.6 (6) |
Ca1xxi—Ca2—Ca2xii | 101.81 (10) | O1ix—Si1—O3ii | 104.6 (6) |
Ca1xxi—Ca2—Ca2xiii | 60.19 (8) | O2xvii—Si1—O3 | 112.6 (6) |
Ca1xxi—Ca2—Ca2viii | 146.57 (9) | O2xvii—Si1—O3ii | 112.6 (6) |
Ca1xxi—Ca2—Ca2xiv | 97.63 (8) | O3—Si1—O3ii | 104.1 (5) |
Ca1xxi—Ca2—Yb2 | 0 | Ca1—O1—Ca1ii | 91.6 (4) |
Ca1xxi—Ca2—Yb2iv | 150.19 (6) | Ca1—O1—Ca2iv | 114.3 (5) |
Ca1xxi—Ca2—Yb2xi | 101.65 (6) | Ca1—O1—Si1x | 106.4 (5) |
Ca1xxi—Ca2—Yb2xii | 101.81 (10) | Ca1ii—O1—Ca2iv | 114.3 (5) |
Ca1xxi—Ca2—Yb2xiii | 60.19 (8) | Ca1ii—O1—Si1x | 106.4 (5) |
Ca1xxi—Ca2—Yb2viii | 146.57 (9) | Ca2iv—O1—Si1x | 119.9 (6) |
Ca1xxi—Ca2—Yb2xiv | 97.63 (8) | Ca1xix—O2—Ca1xx | 91.8 (3) |
Ca1xxi—Ca2—Si1 | 139.51 (13) | Ca1xix—O2—Yb1xix | 0 |
Ca1xxi—Ca2—Si1xi | 52.1 (2) | Ca1xix—O2—Yb1xx | 91.8 (3) |
Ca1xxi—Ca2—O1xi | 32.19 (17) | Ca1xix—O2—Si1v | 128.6 (4) |
Ca1xxi—Ca2—O3xi | 72.6 (2) | Ca1xx—O2—Yb1xix | 91.8 (3) |
Ca1xxi—Ca2—O3xiii | 69.9 (3) | Ca1xx—O2—Yb1xx | 0 |
Ca1xxi—Ca2—O3xv | 115.3 (3) | Ca1xx—O2—Si1v | 128.6 (4) |
Ca1xxi—Ca2—O3xvi | 43.3 (3) | Yb1xix—O2—Yb1xx | 91.8 (3) |
Ca1xxi—Ca2—O4 | 128.14 (6) | Yb1xix—O2—Si1v | 128.6 (4) |
Yb1xviii—Ca2—Yb1xix | 104.16 (6) | Yb1xx—O2—Si1v | 128.6 (4) |
Yb1xviii—Ca2—Yb1xx | 84.03 (5) | Ca2iv—O3—Ca2viii | 116.6 (2) |
Yb1xviii—Ca2—Yb1xxi | 49.54 (10) | Ca2iv—O3—Yb2viii | 116.6 (2) |
Yb1xviii—Ca2—Ca2iv | 150.19 (6) | Ca2iv—O3—Si1 | 97.0 (4) |
Yb1xviii—Ca2—Ca2xi | 101.65 (6) | Ca2viii—O3—Yb2viii | 0 |
Yb1xviii—Ca2—Ca2xii | 60.19 (8) | Ca2viii—O3—Si1 | 139.7 (6) |
Yb1xviii—Ca2—Ca2xiii | 101.81 (10) | Yb2viii—O3—Si1 | 139.7 (6) |
Yb1xviii—Ca2—Ca2viii | 97.63 (8) | Ca2—O4—Ca2iv | 120.00 (9) |
Yb1xviii—Ca2—Ca2xiv | 146.57 (9) | Ca2—O4—Ca2xi | 120.00 (10) |
Yb1xviii—Ca2—Yb2 | 0 | Ca2—O4—Yb2 | 0 |
Yb1xviii—Ca2—Yb2iv | 150.19 (6) | Ca2—O4—Yb2iv | 120.00 (9) |
Yb1xviii—Ca2—Yb2xi | 101.65 (6) | Ca2—O4—Yb2xi | 120.00 (10) |
Yb1xviii—Ca2—Yb2xii | 60.19 (8) | Ca2iv—O4—Ca2xi | 120.00 (10) |
Yb1xviii—Ca2—Yb2xiii | 101.81 (10) | Ca2iv—O4—Yb2 | 120.00 (9) |
Yb1xviii—Ca2—Yb2viii | 97.63 (8) | Ca2iv—O4—Yb2iv | 0 |
Yb1xviii—Ca2—Yb2xiv | 146.57 (9) | Ca2iv—O4—Yb2xi | 120.00 (10) |
Yb1xviii—Ca2—Si1 | 139.51 (13) | Ca2xi—O4—Yb2 | 120.00 (10) |
Yb1xviii—Ca2—Si1xi | 52.1 (2) | Ca2xi—O4—Yb2iv | 120.00 (10) |
Yb1xviii—Ca2—O1xi | 32.19 (17) | Ca2xi—O4—Yb2xi | 0 |
Yb1xviii—Ca2—O3xi | 43.3 (3) | Yb2—O4—Yb2iv | 120.00 (9) |
Yb1xviii—Ca2—O3xiii | 115.3 (3) | Yb2—O4—Yb2xi | 120.00 (10) |
Yb1xviii—Ca2—O3xv | 69.9 (3) | Yb2iv—O4—Yb2xi | 120.00 (10) |
Symmetry codes: (i) x, y, −z−1/2; (ii) x, y, −z+1/2; (iii) x, y+1, z; (iv) −y, x−y, z; (v) −x+y+1, −x+1, z; (vi) −x+1, −y+1, z−1/2; (vii) y, −x+y+1, z−1/2; (viii) x−y, x, z−1/2; (ix) −y+1, x−y+1, z; (x) −x+y, −x+1, z; (xi) −x+y, −x, z; (xii) y, −x+y, z−1/2; (xiii) y, −x+y, z+1/2; (xiv) x−y, x, z+1/2; (xv) y, −x+y, −z; (xvi) −x+y, −x, −z+1/2; (xvii) −y+1, x−y, z; (xviii) x, y−1, z; (xix) −x+1, −y+1, z+1/2; (xx) −x+1, −y+1, −z; (xxi) x, y−1, −z+1/2. |
Sodium lanthanum silicate oxyapatite (Na-La)
top Crystal data top NaLa9(SiO4)6O2 | Z = 1 |
Mr = 1857.63 | Dx = 5.279 Mg m−3 |
Hexagonal, P63/m | Cu Kα radiation, λ = 1.54188 Å |
a = 9.69061 (7) Å | T = 295 K |
c = 7.18567 (6) Å | white |
V = 584.39 (1) Å3 | flat_sheet, 25 × 25 mm |
Data collection top Bruker D8 Advance diffractometer | Data collection mode: reflection |
Radiation source: sealed X-ray tube | Scan method: step |
Specimen mounting: packed powder pellet | 2θmin = 10°, 2θmax = 70°, 2θstep = 0.009° |
Refinement top Rp = 0.04 | 29 parameters |
Rwp = 0.06 | Weighting scheme based on measured s.u.'s |
Rexp = 0.03 | (Δ/σ)max = 0.037 |
RBragg = 0.05 | Background function: Chebychev |
6994 data points | Preferred orientation correction: spherical harmonic |
Profile function: pseudo-Voigt | |
Special details top Refinement. Beq were fixed as 1Å squared during refinement as they result high errors |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | Occ. (<1) |
Na1 | 0.333333 | 0.666667 | −0.002779 | 0.0127* | 0.25 |
La1 | 0.333333 | 0.666667 | −0.002779 | 0.0127* | 0.75 |
La2 | 0.231568 | −0.013605 | 0.25 | 0.0127* | |
Si1 | 0.402659 | 0.370809 | 0.25 | 0.0127* | |
O1 | 0.328041 | 0.481344 | 0.25 | 0.0127* | |
O2 | 0.588006 | 0.463109 | 0.25 | 0.0127* | |
O3 | 0.336277 | 0.252542 | 0.074479 | 0.0127* | |
O4 | 0 | 0 | 0.25 | 0.0127* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
? | ? | ? | ? | ? | ? | ? |
Geometric parameters (Å, º) top Na1—Na1i | 3.5529 | La1—O2v | 2.5054 |
Na1—Na1ii | 3.6328 | La1—O2vi | 2.5054 |
Na1—La1 | 0 | La1—O2vii | 2.5054 |
Na1—La1i | 3.5529 | La2—O3viii | 2.4653 |
Na1—La1ii | 3.6328 | La2—O3ix | 2.4653 |
La1—La1i | 3.5529 | La2—O4 | 2.3128 |
La1—La1ii | 3.6328 | Si1—O1 | 1.5636 |
La1—O1 | 2.5367 | Si1—O2 | 1.5555 |
La1—O1iii | 2.5367 | Si1—O3 | 1.6065 |
La1—O1iv | 2.5367 | Si1—O3ii | 1.6065 |
| | | |
Na1i—Na1—Na1ii | 180 | La1i—La1—O2vi | 44.84 |
Na1i—Na1—La1 | 0 | La1i—La1—O2vii | 44.84 |
Na1i—Na1—La1i | 0 | La1ii—La1—O1 | 44.27 |
Na1i—Na1—La1ii | 180 | La1ii—La1—O1iii | 44.27 |
Na1ii—Na1—La1 | 0 | La1ii—La1—O1iv | 44.27 |
Na1ii—Na1—La1i | 180 | La1ii—La1—O2v | 135.16 |
Na1ii—Na1—La1ii | 0 | La1ii—La1—O2vi | 135.16 |
La1—Na1—La1i | 0 | La1ii—La1—O2vii | 135.16 |
La1—Na1—La1ii | 0 | O1—La1—O1iii | 74.39 |
La1i—Na1—La1ii | 180 | O1—La1—O1iv | 74.39 |
Na1—La1—Na1i | 0 | O1—La1—O2v | 93.2 |
Na1—La1—Na1ii | 0 | O1—La1—O2vi | 154.53 |
Na1—La1—La1i | 0 | O1—La1—O2vii | 124.37 |
Na1—La1—La1ii | 0 | O1iii—La1—O1iv | 74.39 |
Na1—La1—O1 | 0 | O1iii—La1—O2v | 124.36 |
Na1—La1—O1iii | 0 | O1iii—La1—O2vi | 93.2 |
Na1—La1—O1iv | 0 | O1iii—La1—O2vii | 154.53 |
Na1—La1—O2v | 0 | O1iv—La1—O2v | 154.53 |
Na1—La1—O2vi | 0 | O1iv—La1—O2vi | 124.37 |
Na1—La1—O2vii | 0 | O1iv—La1—O2vii | 93.2 |
Na1i—La1—Na1ii | 180 | O2v—La1—O2vi | 75.28 |
Na1i—La1—La1i | 0 | O2v—La1—O2vii | 75.28 |
Na1i—La1—La1ii | 180 | O2vi—La1—O2vii | 75.28 |
Na1i—La1—O1 | 135.73 | O3viii—La2—O3ix | 142.09 |
Na1i—La1—O1iii | 135.73 | O3viii—La2—O4 | 103.4 |
Na1i—La1—O1iv | 135.73 | O3ix—La2—O4 | 103.4 |
Na1i—La1—O2v | 44.84 | O1—Si1—O2 | 113.74 |
Na1i—La1—O2vi | 44.84 | O1—Si1—O3 | 109.35 |
Na1i—La1—O2vii | 44.84 | O1—Si1—O3ii | 109.35 |
Na1ii—La1—La1i | 180 | O2—Si1—O3 | 110.22 |
Na1ii—La1—La1ii | 0 | O2—Si1—O3ii | 110.22 |
Na1ii—La1—O1 | 44.27 | O3—Si1—O3ii | 103.46 |
Na1ii—La1—O1iii | 44.27 | La1—O1—La1ii | 91.46 |
Na1ii—La1—O1iv | 44.27 | La1—O1—Si1 | 129.23 |
Na1ii—La1—O2v | 135.16 | La1ii—O1—Si1 | 129.23 |
Na1ii—La1—O2vi | 135.16 | La1x—O2—La1xi | 90.32 |
Na1ii—La1—O2vii | 135.16 | La1x—O2—Si1 | 105.37 |
La1i—La1—La1ii | 180 | La1xi—O2—Si1 | 105.37 |
La1i—La1—O1 | 135.73 | La2vii—O3—Si1 | 143.18 |
La1i—La1—O1iii | 135.73 | La2—O4—La2xii | 120 |
La1i—La1—O1iv | 135.73 | La2—O4—La2xiii | 120 |
La1i—La1—O2v | 44.84 | La2xii—O4—La2xiii | 120 |
Symmetry codes: (i) x, y, −z−1/2; (ii) x, y, −z+1/2; (iii) −y+1, x−y+1, z; (iv) −x+y, −x+1, z; (v) −x+1, −y+1, z−1/2; (vi) y, −x+y+1, z−1/2; (vii) x−y, x, z−1/2; (viii) y, −x+y, z+1/2; (ix) y, −x+y, −z; (x) −x+1, −y+1, z+1/2; (xi) −x+1, −y+1, −z; (xii) −y, x−y, z; (xiii) −x+y, −x, z. |
Summary of data on Ca2RE8(SiO4)6O2 (RE = La, Ce, Pr, Nd, Sm, Eu, Gd, Dy, Er, Yb, Lu) from the current study and literature topChemistry | a (Å) | c (Å) | Volume (Å3) | Density (Mg m-3) | Reference |
Ca2La8(SiO4)6O2 | 9.6556 | 7.1532 | 578 | 5.105 | Current study |
Ca2La8(SiO4)6O2 | 9.651 | 7.151 | 577 | 5.112 | PDF 00-029-0337 |
Ca2La8(SiO4)6O2 | 9.651 | 7.155 | 577 | 5.110 | (Schroeder & Mathew, 1978) |
Ca2La8(SiO4)6O2 | 9.63 | 7.12 | 571 | 5.165 | (Ito, 1968) |
Ca2Ce8(SiO4)6O2 | 9.5991 | 7.0928 | 566 | 5.239 | (Massoni et al., 2018) |
Ca2Pr8(SiO4)6O2 | 9.565 | 7.060 | 559 | 5.319 | PDF 00-029-0362 |
Ca2Nd8(SiO4)6O2 | 9.5241 | 7.0221 | 552 | 5.474 | Current study |
Ca2Nd8(SiO4)6O2 | 9.529 | 7.022 | 552 | 5.466 | PDF 00-028-0228 |
Ca2Nd8(SiO4)6O2 | 9.5291 | 7.0222 | 552 | 5.467 | (Fahey et al., 1985) |
Ca2Nd8(SiO4)6O2 | 9.52 | 7.00 | 549 | 5.501 | (Ito, 1968) |
Ca2Sm8(SiO4)6O2 | 9.4669 | 6.9481 | 539 | 5.749 | Current study |
Ca2Sm8(SiO4)6O2 | 9.466 | 6.949 | 539 | 5.752 | PDF 00-029-0365 |
Ca2Sm8(SiO4)6O2 | 9.44 | 6.93 | 535 | 5.797 | (Ito, 1968) |
Ca2Eu8(SiO4)6O2 | 9.4408 | 6.9180 | 534 | 5.846 | Current study |
Ca2Eu8(SiO4)6O2 | 9.440 | 6.918 | 534 | 5.848 | PDF 00-029-0320 |
Ca2Gd8(SiO4)6O2 | 9.39 | 6.87 | 525 | 6.081 | (Ito, 1968) |
Ca2Gd8(SiO4)6O2 | 9.421 | 6.888 | 529 | 6.030 | PDF 00-028-0212 |
Ca2Dy8(SiO4)6O2 | 9.37 | 6.81 | 518 | 6.298 | (Ito, 1968) |
Ca2Er8(SiO4)6O2 | 9.33 | 6.75 | 509 | 6.534 | (Ito, 1968) |
Ca2Yb8(SiO4)6O2 | 9.2974 | 6.6975 | 501 | 6.785 | Current study |
Ca2Lu8(SiO4)6O2 | 9.28 | 6.68 | 498 | 6.884 | (Ito, 1968) |
EPMA measurements for oxyapatite samples AxRE10-x(SiO4)6O2 (A = Ca or Na, RE = La, Ce, Nd, Sm or Yb) synthesized in this study topMeasurements shown as mean with standard deviations in parenthesis of including both mass% and as atoms in the unit cell normalized to 42; oxygen was calculated based on stoichiometry in both cases. |
| | | | | | |
Sample ID | Mean (std devn) | A | RE | Si | O (calc. stoch.) | Total |
Ca2La8Si6O26 | Mass % | 4.74 (0.18) | 62.45 (0.98) | 9.48 (0.21) | 23.48 (0.33) | 100.15 (1.29) |
| Atoms | 2.09 (0.10) | 7.96 (0.08 | 5.97 (0.05) | 25.98 (0.03) | 42 |
Ca2Nd8Si6O26 | Mass % | 4.47 (0.04) | 63.34 (0.25) | 9.44 (0.05) | 23.08 (0.06) | 100.33 (0.28) |
| Atoms | 2.01 (0.02) | 7.92 (0.03) | 6.06 (0.02) | 26.01 (0.01) | 42 |
Ca2Sm8Si6O26 | Mass % | 4.42 (0.03) | 65.72 (0.34) | 9.51 (0.05) | 23.09 (0.05) | 102.75 (0.34) |
| Atoms | 1.99 (0.01) | 7.88 (0.04) | 6.11 (0.03) | 26.03 (0.01) | 42 |
Ca2Eu8Si6O26 | Mass % | 4.38 (0.09) | 63.31 (1.09) | 8.35 (0.03) | 21.26 (0.12) | 97.29 (1.11) |
| Atoms | 2.13 (0.06) | 8.13 (0.10) | 5.80 (0.04) | 25.93 (0.004) | 42 |
Ca2Yb8Si6O26 | Mass % | 4.10 (0.10) | 67.01 (1.15) | 9.14 (0.17) | 21.35 (0.29) | 101.59 (1.45) |
| Atoms | 2.00 (0.05) | 7.57 (0.08) | 6.36 (0.07) | 26.07 (0.02) | 42 |
NaLa9Si6O26 | Mass % | 1.08 (0.08) | 68.46 (0.41) | 8.73 (0.16) | 22.15 (0.15) | 100.43 (0.37) |
| Atoms | 0.88 (0.07) | 9.26 (0.08) | 5.84 (0.08) | 26.02 (0.04) | 42 |
Acknowledgements
The authors acknowledge financial support from the US Department of Energy Office of Nuclear Energy (DOE-NE). The Pacific Northwest National Laboratory is operated by Battelle under Contract Number DE-AC05–76RL01830.
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