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Syntheses, crystal structures, and comparisons of rare-earth oxyapatites Ca2RE8(SiO4)6O2 (RE = La, Nd, Sm, Eu, or Yb) and NaLa9(SiO4)6O2

aPacific Northwest National Laboratory, Richland, WA 99352, USA
*Correspondence e-mail: jarrod.crum@pnnl.gov

Edited by A. Van der Lee, Université de Montpellier II, France (Received 15 May 2019; accepted 13 June 2019; online 21 June 2019)

Six different rare-earth oxyapatites, including Ca2RE8(SiO4)6O2 (RE = La, Nd, Sm, Eu, or Yb) and NaLa9(SiO4)6O2, were synthesized using solution-based processes followed by cold pressing and sinter­ing. The crystal structures of the synthesized oxyapatites were determined from powder X-ray diffraction (P-XRD) and their chemistries verified with electron probe microanalysis (EPMA). All the oxyapatites were isostructural within the hexa­gonal space group P63/m and showed similar unit-cell parameters. The isolated [SiO4]4− tetra­hedra in each crystal are linked by the cations at the 4f and 6h sites occupied by RE3+ and Ca2+ in Ca2RE8(SiO4)6O2 or La3+ and Na+ in NaLa9(SiO4)6O2. The lattice parameters, cell volumes, and densities of the synthesized oxyapatites fit well to the trendlines calculated from literature values.

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[Crum, J. V., Turo, L., Riley, B., Tang, M. & Kossoy, A. (2012). J. Am. Ceram. Soc. 95, 1297-1303.], 2014[Crum, J., Maio, V., McCloy, J., Scott, C., Riley, B., Benefiel, B., Vienna, J., Archibald, K., Rodriguez, C., Rutledge, V., Zhu, Z., Ryan, J. & Olszta, M. (2014). J. Nucl. Mater. 444, 481-492.], 2016[Crum, J. V., Neeway, J. J., Riley, B. J., Zhu, Z., Olszta, M. J. & Tang, M. (2016). J. Nucl. Mater. 482, 1-11.]). 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[Crum, J. V., Turo, L., Riley, B., Tang, M. & Kossoy, A. (2012). J. Am. Ceram. Soc. 95, 1297-1303.], 2014[Crum, J., Maio, V., McCloy, J., Scott, C., Riley, B., Benefiel, B., Vienna, J., Archibald, K., Rodriguez, C., Rutledge, V., Zhu, Z., Ryan, J. & Olszta, M. (2014). J. Nucl. Mater. 444, 481-492.], 2016[Crum, J. V., Neeway, J. J., Riley, B. J., Zhu, Z., Olszta, M. J. & Tang, M. (2016). J. Nucl. Mater. 482, 1-11.]). 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[Neeway, J. J., Asmussen, R. M., McElroy, E. M., Peterson, J. A., Riley, B. J. & Crum, J. V. (2019). J. Nucl. Mater. 515, 227-237.]). 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[Peterson, J. A., Crum, J. V., Riley, B. J., Asmussen, R. M. & Neeway, J. J. (2018). J. Nucl. Mater. 510, 623-634.]). The crystal structures of Ca2RE8(SiO4)6O2 (RE = La, Ce, Nd; Schroeder & Mathew, 1978[Schroeder, L. W. & Mathew, M. (1978). J. Solid State Chem. 26, 383-387.]; Fahey et al., 1985[Fahey, J. A., Weber, W. J. & Rotella, F. J. (1985). J. Solid State Chem. 60, 145-158.]; Massoni et al., 2018[Massoni, N., Hegron, R. & Campayo, L. (2018). Acta Cryst. E74, 955-959.]) 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[Setoguchi, M. (1990). J. Cryst. Growth, 99, 879-884.]; Ito, 1968[Ito, J. (1968). Am. Mineral. 53, 890-907.]), Na (Setoguchi, 1990[Setoguchi, M. (1990). J. Cryst. Growth, 99, 879-884.]; Ito, 1968[Ito, J. (1968). Am. Mineral. 53, 890-907.]), Ca (Fahey et al., 1985[Fahey, J. A., Weber, W. J. & Rotella, F. J. (1985). J. Solid State Chem. 60, 145-158.]; Lambert et al., 2006[Lambert, S., Vincent, A., Bruneton, E., Beaudet-Savignat, S., Guillet, F., Minot, B. & Bouree, F. (2006). J. Solid State Chem. 179, 2602-2608.]; Ito, 1968[Ito, J. (1968). Am. Mineral. 53, 890-907.]), Ba (Lambert et al., 2006[Lambert, S., Vincent, A., Bruneton, E., Beaudet-Savignat, S., Guillet, F., Minot, B. & Bouree, F. (2006). J. Solid State Chem. 179, 2602-2608.]; Ito, 1968[Ito, J. (1968). Am. Mineral. 53, 890-907.]), Sr (Lambert et al., 2006[Lambert, S., Vincent, A., Bruneton, E., Beaudet-Savignat, S., Guillet, F., Minot, B. & Bouree, F. (2006). J. Solid State Chem. 179, 2602-2608.]; Ito, 1968[Ito, J. (1968). Am. Mineral. 53, 890-907.]; Latshaw et al., 2016[Latshaw, A. M., Wilkins, B. O., Chance, W. M., Smith, M. D. & zur Loye, H.-C. (2016). Solid State Sci. 51, 59-65.]), Mg (Ito, 1968[Ito, J. (1968). Am. Mineral. 53, 890-907.]), Mn (Ito, 1968[Ito, J. (1968). Am. Mineral. 53, 890-907.]), Pb (Ito, 1968[Ito, J. (1968). Am. Mineral. 53, 890-907.]); Ln = La (Lambert et al., 2006[Lambert, S., Vincent, A., Bruneton, E., Beaudet-Savignat, S., Guillet, F., Minot, B. & Bouree, F. (2006). J. Solid State Chem. 179, 2602-2608.]; Ito, 1968[Ito, J. (1968). Am. Mineral. 53, 890-907.]), Ce (Massoni et al., 2018[Massoni, N., Hegron, R. & Campayo, L. (2018). Acta Cryst. E74, 955-959.]), Pr (Leu et al., 2011[Leu, L. C., Thomas, S., Sebastian, M. T., Zdzieszynski, S., Misture, S. & Ubic, R. (2011). J. Am. Ceram. Soc. 94, 2625-2632.]; Sakakura et al., 2010[Sakakura, T., Kamoshita, M., Iguchi, H., Wang, J. & Ishizawa, N. (2010). Acta Cryst. E66, i68.]), Nd (Fahey et al., 1985[Fahey, J. A., Weber, W. J. & Rotella, F. J. (1985). J. Solid State Chem. 60, 145-158.]; Setoguchi, 1990[Setoguchi, M. (1990). J. Cryst. Growth, 99, 879-884.]; Ito, 1968[Ito, J. (1968). Am. Mineral. 53, 890-907.]; Latshaw et al., 2016[Latshaw, A. M., Wilkins, B. O., Chance, W. M., Smith, M. D. & zur Loye, H.-C. (2016). Solid State Sci. 51, 59-65.]), Sm (Ito, 1968[Ito, J. (1968). Am. Mineral. 53, 890-907.]), Eu (Setoguchi, 1990[Setoguchi, M. (1990). J. Cryst. Growth, 99, 879-884.]), Gd (Ito, 1968[Ito, J. (1968). Am. Mineral. 53, 890-907.]), Tb (Leu et al., 2011[Leu, L. C., Thomas, S., Sebastian, M. T., Zdzieszynski, S., Misture, S. & Ubic, R. (2011). J. Am. Ceram. Soc. 94, 2625-2632.]), Dy (Ito, 1968[Ito, J. (1968). Am. Mineral. 53, 890-907.]), Er (Ito, 1968[Ito, J. (1968). Am. Mineral. 53, 890-907.]), Tm (Leu et al., 2011[Leu, L. C., Thomas, S., Sebastian, M. T., Zdzieszynski, S., Misture, S. & Ubic, R. (2011). J. Am. Ceram. Soc. 94, 2625-2632.]), Lu (Ito, 1968[Ito, J. (1968). Am. Mineral. 53, 890-907.]), Yb (Latshaw et al., 2016[Latshaw, A. M., Wilkins, B. O., Chance, W. M., Smith, M. D. & zur Loye, H.-C. (2016). Solid State Sci. 51, 59-65.]), and Y (Ito, 1968[Ito, J. (1968). Am. Mineral. 53, 890-907.])]. 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[Lambert, S., Vincent, A., Bruneton, E., Beaudet-Savignat, S., Guillet, F., Minot, B. & Bouree, F. (2006). J. Solid State Chem. 179, 2602-2608.]) and P[\overline{3}] (Sansom et al., 2004[Sansom, J. E. H., Tolchard, J. R., Slater, P. R. & Islam, M. S. (2004). Solid State Ionics, 167, 17-22.]) space-group symmetries have been reported as well.

In a study by Lambert et al. (2006[Lambert, S., Vincent, A., Bruneton, E., Beaudet-Savignat, S., Guillet, F., Minot, B. & Bouree, F. (2006). J. Solid State Chem. 179, 2602-2608.]), 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[\overline{3}] 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[Sansom, J. E. H., Tolchard, J. R., Slater, P. R. & Islam, M. S. (2004). Solid State Ionics, 167, 17-22.]), the neutron powder diffraction data of Ga-doped La9.67Si5GaO26 and La10Si4Ga2O26 were fit within the P63/m, P63, and P[\overline{3}] space groups, and both P[\overline{3}] 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[Palatinus, L. & van der Lee, A. (2008). J. Appl. Cryst. 41, 975-984.]), 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[link]), and the isolated [SiO4]4− tetra­hedra are linked by the cations (Fig. 2[link]). Detailed atomic coordinates, bond lengths, and angles are given in the supporting information.

[Figure 1]
Figure 1
(a) Seven-coordinated and (b) nine-coordinated oxygen atoms around RE/AE cations for Ca2RE8(SiO4)6O2.
[Figure 2]
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[link]), 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[link]. The unit-cell parameters and unit-cell volumes increase linearly with increases in the ionic crystal radii (Shannon, 1976[Shannon, R. D. (1976). Acta Cryst. A32, 751-767.]) 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.

Table 1
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

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[Schroeder, L. W. & Mathew, M. (1978). J. Solid State Chem. 26, 383-387.])
Ca2La8(SiO4)6O2 9.63 7.12 571 5.165 (Ito, 1968[Ito, J. (1968). Am. Mineral. 53, 890-907.])
Ca2Ce8(SiO4)6O2 9.5991 7.0928 566 5.239 (Massoni et al., 2018[Massoni, N., Hegron, R. & Campayo, L. (2018). Acta Cryst. E74, 955-959.])
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[Fahey, J. A., Weber, W. J. & Rotella, F. J. (1985). J. Solid State Chem. 60, 145-158.])
Ca2Nd8(SiO4)6O2 9.52 7.00 549 5.501 (Ito, 1968[Ito, J. (1968). Am. Mineral. 53, 890-907.])
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[Ito, J. (1968). Am. Mineral. 53, 890-907.])
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[Ito, J. (1968). Am. Mineral. 53, 890-907.])
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[Ito, J. (1968). Am. Mineral. 53, 890-907.])
Ca2Er8(SiO4)6O2 9.33 6.75 509 6.534 (Ito, 1968[Ito, J. (1968). Am. Mineral. 53, 890-907.])
Ca2Yb8(SiO4)6O2 9.2974 6.6975 501 6.785 Current study
Ca2Lu8(SiO4)6O2 9.28 6.68 498 6.884 (Ito, 1968[Ito, J. (1968). Am. Mineral. 53, 890-907.])
[Figure 3]
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[link].

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[Peterson, J. A., Crum, J. V., Riley, B. J., Asmussen, R. M. & Neeway, J. J. (2018). J. Nucl. Mater. 510, 623-634.]). 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[link] 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[link], 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[link] also gives the molar elemental ratios of each element normalized to total atoms in the oxyapatite structure per unit cell = 42 atoms. Fig. 4[link] shows that the EPMA measurements confirm that samples were all on target to the batched compositions.

Table 2
Experimental details

  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)
V3) 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)
V3) 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[Kienle, M. & Jacob, M. (2003). XRD Commander. Bruker AXS GmbH, Karlsruhe, Germany.]), TOPAS (Bruker, 2009[Bruker (2009). TOPAS. Bruker AXS, Karlsruhe, Germany.]), VESTA (Momma & Izumi, 2011[Momma, K. & Izumi, F. (2011). J. Appl. Cryst. 44, 1272-1276.]) and publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.]).

Table 3
EPMA measurements for oxyapatite samples AxRE10 − x(SiO4)6O2 (A = Ca or Na, RE = La, Ce, Nd, Sm or Yb) synthesized in this study

Measurements 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 (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]
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[link]. The Rietveld plots are shown in Fig. 5[link]. 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[Bruker (2009). TOPAS. Bruker AXS, Karlsruhe, Germany.]) 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[link]), 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[link]) 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[Järvinen, M. (1993). J. Appl. Cryst. 26, 525-531.]) were refined, and the background was fitted with a Chebychev polynomial.

[Figure 5]
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


Computing details top

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)6O2Z = 1
Mr = 1775.7Dx = 5.105 Mg m3
Hexagonal, P63/mCu Kα radiation, λ = 1.54188 Å
a = 9.65568 (7) ÅT = 295 K
c = 7.15323 (6) Åwhite
V = 577.56 (1) Å3flat_sheet, 25 × 25 mm
Data collection top
Bruker D8 Advance
diffractometer
Data collection mode: reflection
Radiation source: sealed X-ray tubeScan method: step
Specimen mounting: packed powder pellet2θmin = 10°, 2θmax = 70°, 2θstep = 0.009°
Refinement top
Rp = 0.05Profile function: pseudo-Voigt
Rwp = 0.0724 parameters
Rexp = 0.03Weighting scheme based on measured s.u.'s
RBragg = 0.03(Δ/σ)max < 0.001
6994 data pointsBackground 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
xyzUiso*/UeqOcc. (<1)
Ca10.3333330.6666670.0033 (4)0.0127*0.448
La10.3333330.6666670.0033 (4)0.0127*0.552
Ca20.23167 (12)0.01384 (16)0.250.0127*0.035
La20.23167 (12)0.01384 (16)0.250.0127*0.965
Si10.4033 (6)0.3747 (7)0.250.0127*
O10.3275 (10)0.4848 (10)0.250.0127*
O20.5952 (12)0.4633 (10)0.250.0127*
O30.3415 (6)0.2571 (6)0.0722 (7)0.0127*
O4000.250.0127*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
???????
Geometric parameters (Å, º) top
Ca1—Ca1i3.529 (4)La1—O2vii2.456 (8)
Ca1—Ca1ii3.624 (4)La1—O2viii2.456 (10)
Ca1—La10Ca2—Ca2iv3.995 (3)
Ca1—La1i3.529 (4)Ca2—Ca2xi3.995 (2)
Ca1—La1ii3.624 (4)Ca2—La20
Ca1—Ca2iii4.098 (2)Ca2—La2iv3.995 (3)
Ca1—Ca2iv4.0978 (18)Ca2—La2xi3.995 (2)
Ca1—Ca2v4.098 (2)Ca2—Si13.256 (6)
Ca1—Si1vi3.280 (6)Ca2—O42.3067 (14)
Ca1—Si1vii3.280 (8)La2—O2xii2.552 (9)
Ca1—Si1viii3.280 (5)La2—O3xiii2.450 (6)
La1—La1i3.529 (4)La2—O3xiv2.450 (6)
La1—La1ii3.624 (4)La2—O42.3067 (14)
La1—O12.504 (8)Si1—O11.563 (14)
La1—O1ix2.504 (6)Si1—O21.606 (12)
La1—O1x2.504 (10)Si1—O31.608 (6)
La1—O2vi2.456 (9)Si1—O3ii1.608 (6)
Ca1i—Ca1—Ca1ii180O2vi—La1—O2vii74.1 (4)
Ca1i—Ca1—La10O2vi—La1—O2viii74.1 (4)
Ca1i—Ca1—La1i0O2vii—La1—O2viii74.1 (3)
Ca1i—Ca1—La1ii180Ca1xv—Ca2—Ca1xvi52.48 (5)
Ca1i—Ca1—Ca2iii116.24 (4)Ca1xv—Ca2—Ca2iv150.60 (4)
Ca1i—Ca1—Ca2iv116.24 (4)Ca1xv—Ca2—Ca2xi104.54 (3)
Ca1i—Ca1—Ca2v116.24 (4)Ca1xv—Ca2—La20
Ca1i—Ca1—Si1vi57.45 (8)Ca1xv—Ca2—La2iv150.60 (4)
Ca1i—Ca1—Si1vii57.45 (10)Ca1xv—Ca2—La2xi104.54 (3)
Ca1i—Ca1—Si1viii57.45 (7)Ca1xv—Ca2—Si1133.78 (10)
Ca1ii—Ca1—La10Ca1xv—Ca2—O4130.38 (3)
Ca1ii—Ca1—La1i180Ca1xvi—Ca2—Ca2iv150.60 (4)
Ca1ii—Ca1—La1ii0Ca1xvi—Ca2—Ca2xi104.54 (3)
Ca1ii—Ca1—Ca2iii63.76 (4)Ca1xvi—Ca2—La20
Ca1ii—Ca1—Ca2iv63.76 (4)Ca1xvi—Ca2—La2iv150.60 (4)
Ca1ii—Ca1—Ca2v63.76 (4)Ca1xvi—Ca2—La2xi104.54 (3)
Ca1ii—Ca1—Si1vi122.55 (8)Ca1xvi—Ca2—Si1133.78 (10)
Ca1ii—Ca1—Si1vii122.55 (10)Ca1xvi—Ca2—O4130.38 (3)
Ca1ii—Ca1—Si1viii122.55 (7)Ca2iv—Ca2—Ca2xi60.00 (3)
La1—Ca1—La1i0Ca2iv—Ca2—La20
La1—Ca1—La1ii0Ca2iv—Ca2—La2iv0
La1—Ca1—Ca2iii0Ca2iv—Ca2—La2xi60.00 (3)
La1—Ca1—Ca2iv0Ca2iv—Ca2—Si153.27 (12)
La1—Ca1—Ca2v0Ca2iv—Ca2—O430.00 (3)
La1—Ca1—Si1vi0Ca2xi—Ca2—La20
La1—Ca1—Si1vii0Ca2xi—Ca2—La2iv60.00 (3)
La1—Ca1—Si1viii0Ca2xi—Ca2—La2xi0
La1i—Ca1—La1ii180Ca2xi—Ca2—Si1113.27 (12)
La1i—Ca1—Ca2iii116.24 (4)Ca2xi—Ca2—O430.00 (2)
La1i—Ca1—Ca2iv116.24 (4)La2—Ca2—La2iv0
La1i—Ca1—Ca2v116.24 (4)La2—Ca2—La2xi0
La1i—Ca1—Si1vi57.45 (8)La2—Ca2—Si10
La1i—Ca1—Si1vii57.45 (10)La2—Ca2—O40
La1i—Ca1—Si1viii57.45 (7)La2iv—Ca2—La2xi60.00 (3)
La1ii—Ca1—Ca2iii63.76 (4)La2iv—Ca2—Si153.27 (12)
La1ii—Ca1—Ca2iv63.76 (4)La2iv—Ca2—O430.00 (3)
La1ii—Ca1—Ca2v63.76 (4)La2xi—Ca2—Si1113.27 (12)
La1ii—Ca1—Si1vi122.55 (8)La2xi—Ca2—O430.00 (2)
La1ii—Ca1—Si1vii122.55 (10)Si1—Ca2—O483.27 (12)
La1ii—Ca1—Si1viii122.55 (7)Ca2—La2—Ca2iv0
Ca2iii—Ca1—Ca2iv101.93 (5)Ca2—La2—Ca2xi0
Ca2iii—Ca1—Ca2v101.93 (5)Ca2—La2—O2xii0
Ca2iii—Ca1—Si1vi145.27 (10)Ca2—La2—O3xiii0
Ca2iii—Ca1—Si1vii61.97 (11)Ca2—La2—O3xiv0
Ca2iii—Ca1—Si1viii111.22 (16)Ca2—La2—O40
Ca2iv—Ca1—Ca2v101.93 (5)Ca2iv—La2—Ca2xi60.00 (3)
Ca2iv—Ca1—Si1vi111.22 (11)Ca2iv—La2—O2xii118.6 (4)
Ca2iv—Ca1—Si1vii145.27 (11)Ca2iv—La2—O3xiii109.4 (2)
Ca2iv—Ca1—Si1viii61.97 (5)Ca2iv—La2—O3xiv109.4 (2)
Ca2v—Ca1—Si1vi61.97 (6)Ca2iv—La2—O430.00 (3)
Ca2v—Ca1—Si1vii111.22 (10)Ca2xi—La2—O2xii178.6 (4)
Ca2v—Ca1—Si1viii145.27 (16)Ca2xi—La2—O3xiii95.92 (12)
Si1vi—Ca1—Si1vii93.77 (17)Ca2xi—La2—O3xiv95.92 (12)
Si1vi—Ca1—Si1viii93.77 (16)Ca2xi—La2—O430.00 (2)
Si1vii—Ca1—Si1viii93.77 (14)O2xii—La2—O3xiii84.54 (17)
Ca1—La1—Ca1i0O2xii—La2—O3xiv84.54 (17)
Ca1—La1—Ca1ii0O2xii—La2—O4148.6 (4)
Ca1—La1—La1i0O3xiii—La2—O3xiv140.3 (3)
Ca1—La1—La1ii0O3xiii—La2—O4104.54 (16)
Ca1—La1—O10O3xiv—La2—O4104.54 (16)
Ca1—La1—O1ix0Ca1xvii—Si1—Ca1xviii65.10 (15)
Ca1—La1—O1x0Ca1xvii—Si1—Ca280.71 (16)
Ca1—La1—O2vi0Ca1xvii—Si1—O1137.6 (2)
Ca1—La1—O2vii0Ca1xvii—Si1—O246.1 (3)
Ca1—La1—O2viii0Ca1xvii—Si1—O3112.1 (4)
Ca1i—La1—Ca1ii180Ca1xvii—Si1—O3ii61.6 (3)
Ca1i—La1—La1i0Ca1xviii—Si1—Ca280.71 (16)
Ca1i—La1—La1ii180Ca1xviii—Si1—O1137.6 (2)
Ca1i—La1—O1136.35 (18)Ca1xviii—Si1—O246.1 (3)
Ca1i—La1—O1ix136.35 (14)Ca1xviii—Si1—O361.6 (3)
Ca1i—La1—O1x136.3 (2)Ca1xviii—Si1—O3ii112.1 (4)
Ca1i—La1—O2vi44.1 (2)Ca2—Si1—O1129.9 (3)
Ca1i—La1—O2vii44.1 (2)Ca2—Si1—O2113.6 (5)
Ca1i—La1—O2viii44.1 (2)Ca2—Si1—O352.5 (3)
Ca1ii—La1—La1i180Ca2—Si1—O3ii52.5 (3)
Ca1ii—La1—La1ii0O1—Si1—O2116.5 (6)
Ca1ii—La1—O143.65 (18)O1—Si1—O3110.2 (4)
Ca1ii—La1—O1ix43.65 (14)O1—Si1—O3ii110.2 (4)
Ca1ii—La1—O1x43.7 (2)O2—Si1—O3107.3 (4)
Ca1ii—La1—O2vi135.9 (2)O2—Si1—O3ii107.3 (4)
Ca1ii—La1—O2vii135.9 (2)O3—Si1—O3ii104.6 (4)
Ca1ii—La1—O2viii135.9 (2)La1—O1—La1ii92.7 (4)
La1i—La1—La1ii180La1—O1—Si1128.5 (3)
La1i—La1—O1136.35 (18)La1ii—O1—Si1128.5 (3)
La1i—La1—O1ix136.35 (14)La1xvii—O2—La1xviii91.9 (4)
La1i—La1—O1x136.3 (2)La1xvii—O2—La2v115.4 (2)
La1i—La1—O2vi44.1 (2)La1xvii—O2—Si1105.8 (3)
La1i—La1—O2vii44.1 (2)La1xviii—O2—La2v115.4 (2)
La1i—La1—O2viii44.1 (2)La1xviii—O2—Si1105.8 (3)
La1ii—La1—O143.65 (18)La2v—O2—Si1118.9 (7)
La1ii—La1—O1ix43.65 (14)La2viii—O3—Si1143.4 (4)
La1ii—La1—O1x43.7 (2)Ca2—O4—Ca2iv120.00 (5)
La1ii—La1—O2vi135.9 (2)Ca2—O4—Ca2xi120.00 (6)
La1ii—La1—O2vii135.9 (2)Ca2—O4—La20
La1ii—La1—O2viii135.9 (2)Ca2—O4—La2iv120.00 (5)
O1—La1—O1ix73.4 (3)Ca2—O4—La2xi120.00 (6)
O1—La1—O1x73.4 (3)Ca2iv—O4—Ca2xi120.00 (6)
O1—La1—O2vi94.3 (3)Ca2iv—O4—La2120.00 (5)
O1—La1—O2vii154.0 (3)Ca2iv—O4—La2iv0
O1—La1—O2viii125.9 (3)Ca2iv—O4—La2xi120.00 (6)
O1ix—La1—O1x73.4 (3)Ca2xi—O4—La2120.00 (6)
O1ix—La1—O2vi125.9 (4)Ca2xi—O4—La2iv120.00 (6)
O1ix—La1—O2vii94.3 (2)Ca2xi—O4—La2xi0
O1ix—La1—O2viii154.0 (5)La2—O4—La2iv120.00 (5)
O1x—La1—O2vi154.0 (2)La2—O4—La2xi120.00 (6)
O1x—La1—O2vii125.9 (4)La2iv—O4—La2xi120.00 (6)
O1x—La1—O2viii94.3 (4)
Symmetry codes: (i) x, y, z1/2; (ii) x, y, z+1/2; (iii) x, y+1, z; (iv) y, xy, z; (v) x+y+1, x+1, z; (vi) x+1, y+1, z1/2; (vii) y, x+y+1, z1/2; (viii) xy, x, z1/2; (ix) y+1, xy+1, z; (x) x+y, x+1, z; (xi) x+y, x, z; (xii) y+1, xy, z; (xiii) y, x+y, z+1/2; (xiv) y, x+y, z; (xv) x, y1, z; (xvi) x, y1, 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)6O2Z = 1
Mr = 1818.4Dx = 5.474 Mg m3
Hexagonal, P63/mCu Kα radiation, λ = 1.54188 Å
a = 9.52414 (5) ÅT = 295 K
c = 7.02213 (5) Åblue_violet
V = 551.63 (1) Å3flat_sheet, 25 × 25 mm
Data collection top
Bruker D8 Advance
diffractometer
Data collection mode: reflection
Radiation source: sealed X-ray tubeScan method: step
Specimen mounting: packed powder pellet2θmin = 10°, 2θmax = 70°, 2θstep = 0.009°
Refinement top
Rp = 0.0526 parameters
Rwp = 0.06Weighting scheme based on measured s.u.'s
Rexp = 0.03(Δ/σ)max = 0.001
RBragg = 0.03Background function: Chebychev
6994 data pointsPreferred 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
xyzUiso*/UeqOcc. (<1)
Ca10.3333330.6666670.0015 (6)0.0127*0.448
Nd10.3333330.6666670.0015 (6)0.0127*0.552
Ca20.23298 (13)0.0105 (2)0.250.0127*0.035
Nd20.23298 (13)0.0105 (2)0.250.0127*0.965
Si10.4017 (6)0.3747 (7)0.250.0127*
O10.3225 (11)0.4858 (11)0.250.0127*
O20.5984 (12)0.4765 (11)0.250.0127*
O30.3343 (6)0.2513 (7)0.0773 (7)0.0127*
O4000.250.0127*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
???????
Geometric parameters (Å, º) top
Ca1—Ca1i3.490 (6)Ca2—Ca2iv3.933 (3)
Ca1—Ca1ii3.532 (6)Ca2—Ca2xi3.933 (2)
Ca1—Nd10Ca2—Nd20
Ca1—Nd1i3.490 (6)Ca2—Nd2iv3.933 (3)
Ca1—Nd1ii3.532 (6)Ca2—Nd2xi3.933 (2)
Ca1—Ca2iii4.053 (3)Ca2—Si13.185 (6)
Ca1—Ca2iv4.053 (2)Ca2—Si1xi3.284 (5)
Ca1—Ca2v4.053 (3)Ca2—O2xii2.399 (9)
Ca1—Si1vi3.250 (6)Ca2—O3xiii2.431 (6)
Ca1—Si1vii3.250 (8)Ca2—O3xiv2.431 (6)
Ca1—Si1viii3.250 (5)Ca2—O42.2706 (16)
Ca1—O12.433 (8)Nd2—O2xii2.399 (9)
Ca1—O1ix2.433 (7)Nd2—O3xiii2.431 (6)
Ca1—O1x2.433 (11)Nd2—O3xiv2.431 (6)
Nd1—Nd1i3.490 (6)Nd2—O42.2706 (16)
Nd1—Nd1ii3.532 (6)Si1—O11.577 (15)
Nd1—O12.433 (8)Si1—O21.623 (11)
Nd1—O1ix2.433 (7)Si1—O31.584 (6)
Nd1—O1x2.433 (11)Si1—O3ii1.584 (6)
Ca1i—Ca1—Ca1ii180Ca1xvi—Ca2—O3xiii45.2 (2)
Ca1i—Ca1—Nd10Ca1xvi—Ca2—O3xiv96.8 (2)
Ca1i—Ca1—Nd1i0Ca1xvi—Ca2—O4129.78 (4)
Ca1i—Ca1—Nd1ii180Ca2iv—Ca2—Ca2xi60.00 (4)
Ca1i—Ca1—Ca2iii115.83 (6)Ca2iv—Ca2—Nd20
Ca1i—Ca1—Ca2iv115.83 (5)Ca2iv—Ca2—Nd2iv0
Ca1i—Ca1—Ca2v115.83 (6)Ca2iv—Ca2—Nd2xi60.00 (4)
Ca1i—Ca1—Si1vi57.53 (9)Ca2iv—Ca2—Si153.72 (12)
Ca1i—Ca1—Si1vii57.53 (11)Ca2iv—Ca2—Si1xi111.43 (17)
Ca1i—Ca1—Si1viii57.53 (8)Ca2iv—Ca2—O2xii120.7 (4)
Ca1i—Ca1—O1136.5 (2)Ca2iv—Ca2—O3xiii108.2 (2)
Ca1i—Ca1—O1ix136.54 (17)Ca2iv—Ca2—O3xiv108.2 (2)
Ca1i—Ca1—O1x136.5 (3)Ca2iv—Ca2—O430.00 (4)
Ca1ii—Ca1—Nd10Ca2xi—Ca2—Nd20
Ca1ii—Ca1—Nd1i180Ca2xi—Ca2—Nd2iv60.00 (4)
Ca1ii—Ca1—Nd1ii0Ca2xi—Ca2—Nd2xi0
Ca1ii—Ca1—Ca2iii64.17 (6)Ca2xi—Ca2—Si1113.72 (13)
Ca1ii—Ca1—Ca2iv64.17 (5)Ca2xi—Ca2—Si1xi51.43 (17)
Ca1ii—Ca1—Ca2v64.17 (6)Ca2xi—Ca2—O2xii179.3 (4)
Ca1ii—Ca1—Si1vi122.47 (9)Ca2xi—Ca2—O3xiii94.26 (14)
Ca1ii—Ca1—Si1vii122.47 (11)Ca2xi—Ca2—O3xiv94.26 (14)
Ca1ii—Ca1—Si1viii122.47 (8)Ca2xi—Ca2—O430.00 (3)
Ca1ii—Ca1—O143.5 (2)Nd2—Ca2—Nd2iv0
Ca1ii—Ca1—O1ix43.46 (17)Nd2—Ca2—Nd2xi0
Ca1ii—Ca1—O1x43.5 (3)Nd2—Ca2—Si10
Nd1—Ca1—Nd1i0Nd2—Ca2—Si1xi0
Nd1—Ca1—Nd1ii0Nd2—Ca2—O2xii0
Nd1—Ca1—Ca2iii0Nd2—Ca2—O3xiii0
Nd1—Ca1—Ca2iv0Nd2—Ca2—O3xiv0
Nd1—Ca1—Ca2v0Nd2—Ca2—O40
Nd1—Ca1—Si1vi0Nd2iv—Ca2—Nd2xi60.00 (4)
Nd1—Ca1—Si1vii0Nd2iv—Ca2—Si153.72 (12)
Nd1—Ca1—Si1viii0Nd2iv—Ca2—Si1xi111.43 (17)
Nd1—Ca1—O10Nd2iv—Ca2—O2xii120.7 (4)
Nd1—Ca1—O1ix0Nd2iv—Ca2—O3xiii108.2 (2)
Nd1—Ca1—O1x0Nd2iv—Ca2—O3xiv108.2 (2)
Nd1i—Ca1—Nd1ii180Nd2iv—Ca2—O430.00 (4)
Nd1i—Ca1—Ca2iii115.83 (6)Nd2xi—Ca2—Si1113.72 (13)
Nd1i—Ca1—Ca2iv115.83 (5)Nd2xi—Ca2—Si1xi51.43 (17)
Nd1i—Ca1—Ca2v115.83 (6)Nd2xi—Ca2—O2xii179.3 (4)
Nd1i—Ca1—Si1vi57.53 (9)Nd2xi—Ca2—O3xiii94.26 (14)
Nd1i—Ca1—Si1vii57.53 (11)Nd2xi—Ca2—O3xiv94.26 (14)
Nd1i—Ca1—Si1viii57.53 (8)Nd2xi—Ca2—O430.00 (3)
Nd1i—Ca1—O1136.5 (2)Si1—Ca2—Si1xi165.1 (2)
Nd1i—Ca1—O1ix136.54 (17)Si1—Ca2—O2xii67.0 (4)
Nd1i—Ca1—O1x136.5 (3)Si1—Ca2—O3xiii105.11 (18)
Nd1ii—Ca1—Ca2iii64.17 (6)Si1—Ca2—O3xiv105.11 (18)
Nd1ii—Ca1—Ca2iv64.17 (5)Si1—Ca2—O483.72 (13)
Nd1ii—Ca1—Ca2v64.17 (6)Si1xi—Ca2—O2xii127.8 (4)
Nd1ii—Ca1—Si1vi122.47 (9)Si1xi—Ca2—O3xiii78.36 (16)
Nd1ii—Ca1—Si1vii122.47 (11)Si1xi—Ca2—O3xiv78.36 (16)
Nd1ii—Ca1—Si1viii122.47 (8)Si1xi—Ca2—O481.43 (17)
Nd1ii—Ca1—O143.5 (2)O2xii—Ca2—O3xiii85.50 (19)
Nd1ii—Ca1—O1ix43.46 (17)O2xii—Ca2—O3xiv85.50 (19)
Nd1ii—Ca1—O1x43.5 (3)O2xii—Ca2—O4150.7 (4)
Ca2iii—Ca1—Ca2iv102.43 (7)O3xiii—Ca2—O3xiv142.0 (3)
Ca2iii—Ca1—Ca2v102.43 (7)O3xiii—Ca2—O4102.89 (19)
Ca2iii—Ca1—Si1vi144.87 (10)O3xiv—Ca2—O4102.89 (19)
Ca2iii—Ca1—Si1vii61.42 (11)Ca2—Nd2—Ca2iv0
Ca2iii—Ca1—Si1viii111.25 (16)Ca2—Nd2—Ca2xi0
Ca2iii—Ca1—O1106.2 (3)Ca2—Nd2—O2xii0
Ca2iii—Ca1—O1ix62.3 (4)Ca2—Nd2—O3xiii0
Ca2iii—Ca1—O1x40.3 (2)Ca2—Nd2—O3xiv0
Ca2iv—Ca1—Ca2v102.42 (7)Ca2—Nd2—O40
Ca2iv—Ca1—Si1vi111.25 (11)Ca2iv—Nd2—Ca2xi60.00 (4)
Ca2iv—Ca1—Si1vii144.87 (12)Ca2iv—Nd2—O2xii120.7 (4)
Ca2iv—Ca1—Si1viii61.42 (5)Ca2iv—Nd2—O3xiii108.2 (2)
Ca2iv—Ca1—O140.3 (2)Ca2iv—Nd2—O3xiv108.2 (2)
Ca2iv—Ca1—O1ix106.2 (2)Ca2iv—Nd2—O430.00 (4)
Ca2iv—Ca1—O1x62.3 (2)Ca2xi—Nd2—O2xii179.3 (4)
Ca2v—Ca1—Si1vi61.42 (6)Ca2xi—Nd2—O3xiii94.26 (14)
Ca2v—Ca1—Si1vii111.25 (10)Ca2xi—Nd2—O3xiv94.26 (14)
Ca2v—Ca1—Si1viii144.87 (16)Ca2xi—Nd2—O430.00 (3)
Ca2v—Ca1—O162.3 (2)O2xii—Nd2—O3xiii85.50 (19)
Ca2v—Ca1—O1ix40.3 (4)O2xii—Nd2—O3xiv85.50 (19)
Ca2v—Ca1—O1x106.2 (3)O2xii—Nd2—O4150.7 (4)
Si1vi—Ca1—Si1vii93.88 (18)O3xiii—Nd2—O3xiv142.0 (3)
Si1vi—Ca1—Si1viii93.88 (17)O3xiii—Nd2—O4102.89 (19)
Si1vi—Ca1—O193.7 (3)O3xiv—Nd2—O4102.89 (19)
Si1vi—Ca1—O1ix97.8 (3)Ca1xvii—Si1—Ca1xviii64.95 (16)
Si1vi—Ca1—O1x165.6 (3)Ca1xvii—Si1—Ca280.53 (16)
Si1vii—Ca1—Si1viii93.88 (15)Ca1xvii—Si1—Ca2iv139.09 (12)
Si1vii—Ca1—O1165.6 (2)Ca1xvii—Si1—O1137.9 (2)
Si1vii—Ca1—O1ix93.7 (3)Ca1xvii—Si1—O248.5 (3)
Si1vii—Ca1—O1x97.8 (3)Ca1xvii—Si1—O3111.9 (4)
Si1viii—Ca1—O197.83 (18)Ca1xvii—Si1—O3ii63.3 (3)
Si1viii—Ca1—O1ix165.6 (2)Ca1xviii—Si1—Ca280.53 (16)
Si1viii—Ca1—O1x93.7 (2)Ca1xviii—Si1—Ca2iv139.09 (12)
O1—Ca1—O1ix73.1 (3)Ca1xviii—Si1—O1137.9 (2)
O1—Ca1—O1x73.1 (4)Ca1xviii—Si1—O248.5 (3)
O1ix—Ca1—O1x73.1 (3)Ca1xviii—Si1—O363.3 (3)
Ca1—Nd1—Ca1i0Ca1xviii—Si1—O3ii111.9 (4)
Ca1—Nd1—Ca1ii0Ca2—Si1—Ca2iv74.85 (11)
Ca1—Nd1—Nd1i0Ca2—Si1—O1129.6 (4)
Ca1—Nd1—Nd1ii0Ca2—Si1—O2117.1 (6)
Ca1—Nd1—O10Ca2—Si1—O350.3 (3)
Ca1—Nd1—O1ix0Ca2—Si1—O3ii50.3 (3)
Ca1—Nd1—O1x0Ca2iv—Si1—O154.8 (3)
Ca1i—Nd1—Ca1ii180Ca2iv—Si1—O2168.1 (6)
Ca1i—Nd1—Nd1i0Ca2iv—Si1—O375.9 (3)
Ca1i—Nd1—Nd1ii180Ca2iv—Si1—O3ii75.9 (3)
Ca1i—Nd1—O1136.5 (2)O1—Si1—O2113.3 (6)
Ca1i—Nd1—O1ix136.54 (17)O1—Si1—O3110.2 (4)
Ca1i—Nd1—O1x136.5 (3)O1—Si1—O3ii110.2 (4)
Ca1ii—Nd1—Nd1i180O2—Si1—O3111.2 (4)
Ca1ii—Nd1—Nd1ii0O2—Si1—O3ii111.2 (4)
Ca1ii—Nd1—O143.5 (2)O3—Si1—O3ii99.9 (4)
Ca1ii—Nd1—O1ix43.46 (17)Ca1—O1—Ca1ii93.1 (4)
Ca1ii—Nd1—O1x43.5 (3)Ca1—O1—Nd10
Nd1i—Nd1—Nd1ii180Ca1—O1—Nd1ii93.1 (4)
Nd1i—Nd1—O1136.5 (2)Ca1—O1—Si1127.6 (3)
Nd1i—Nd1—O1ix136.54 (17)Ca1ii—O1—Nd193.1 (4)
Nd1i—Nd1—O1x136.5 (3)Ca1ii—O1—Nd1ii0
Nd1ii—Nd1—O143.5 (2)Ca1ii—O1—Si1127.6 (3)
Nd1ii—Nd1—O1ix43.46 (17)Nd1—O1—Nd1ii93.1 (4)
Nd1ii—Nd1—O1x43.5 (3)Nd1—O1—Si1127.6 (3)
O1—Nd1—O1ix73.1 (3)Nd1ii—O1—Si1127.6 (3)
O1—Nd1—O1x73.1 (4)Ca2v—O2—Nd2v0
O1ix—Nd1—O1x73.1 (3)Ca2v—O2—Si1124.1 (7)
Ca1xv—Ca2—Ca1xvi51.67 (8)Nd2v—O2—Si1124.1 (7)
Ca1xv—Ca2—Ca2iv150.53 (5)Ca2viii—O3—Nd2viii0
Ca1xv—Ca2—Ca2xi103.74 (4)Ca2viii—O3—Si1140.8 (5)
Ca1xv—Ca2—Nd20Nd2viii—O3—Si1140.8 (5)
Ca1xv—Ca2—Nd2iv150.53 (5)Ca2—O4—Ca2iv120.00 (6)
Ca1xv—Ca2—Nd2xi103.74 (4)Ca2—O4—Ca2xi120.00 (7)
Ca1xv—Ca2—Si1134.37 (10)Ca2—O4—Nd20
Ca1xv—Ca2—Si1xi57.95 (14)Ca2—O4—Nd2iv120.00 (6)
Ca1xv—Ca2—O2xii75.6 (3)Ca2—O4—Nd2xi120.00 (7)
Ca1xv—Ca2—O3xiii96.8 (2)Ca2iv—O4—Ca2xi120.00 (7)
Ca1xv—Ca2—O3xiv45.2 (2)Ca2iv—O4—Nd2120.00 (6)
Ca1xv—Ca2—O4129.78 (4)Ca2iv—O4—Nd2iv0
Ca1xvi—Ca2—Ca2iv150.53 (5)Ca2iv—O4—Nd2xi120.00 (7)
Ca1xvi—Ca2—Ca2xi103.74 (4)Ca2xi—O4—Nd2120.00 (7)
Ca1xvi—Ca2—Nd20Ca2xi—O4—Nd2iv120.00 (7)
Ca1xvi—Ca2—Nd2iv150.53 (5)Ca2xi—O4—Nd2xi0
Ca1xvi—Ca2—Nd2xi103.74 (4)Nd2—O4—Nd2iv120.00 (6)
Ca1xvi—Ca2—Si1134.37 (10)Nd2—O4—Nd2xi120.00 (7)
Ca1xvi—Ca2—Si1xi57.95 (14)Nd2iv—O4—Nd2xi120.00 (7)
Ca1xvi—Ca2—O2xii75.6 (3)
Symmetry codes: (i) x, y, z1/2; (ii) x, y, z+1/2; (iii) x, y+1, z; (iv) y, xy, z; (v) x+y+1, x+1, z; (vi) x+1, y+1, z1/2; (vii) y, x+y+1, z1/2; (viii) xy, x, z1/2; (ix) y+1, xy+1, z; (x) x+y, x+1, z; (xi) x+y, x, z; (xii) y+1, xy, z; (xiii) y, x+y, z+1/2; (xiv) y, x+y, z; (xv) x, y1, z; (xvi) x, y1, 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)6O2Z = 1
Mr = 1867.3Dx = 5.750 Mg m3
Hexagonal, P63/mCu Kα radiation, λ = 1.54188 Å
a = 9.46696 (6) ÅT = 295 K
c = 6.94810 (5) Åyellow_gray
V = 539.28 (1) Å3flat_sheet, 25 × 25 mm
Data collection top
Bruker D8 Advance
diffractometer
Data collection mode: reflection
Radiation source: sealed X-ray tubeScan method: step
Specimen mounting: packed powder pellet2θmin = 10°, 2θmax = 70°, 2θstep = 0.009°
Refinement top
Rp = 0.0426 parameters
Rwp = 0.06Weighting scheme based on measured s.u.'s
Rexp = 0.03(Δ/σ)max = 0.013
RBragg = 0.04Background function: Chebychev
6994 data pointsPreferred 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
xyzUiso*/UeqOcc. (<1)
Ca10.3333330.6666670.0007 (7)0.0127*0.448
Sm10.3333330.6666670.0007 (7)0.0127*0.552
Ca20.23285 (16)0.0082 (3)0.250.0127*0.035
Sm20.23285 (16)0.0082 (3)0.250.0127*0.965
Si10.3996 (7)0.3727 (8)0.250.0127*
O10.3267 (12)0.4885 (12)0.250.0127*
O20.5929 (13)0.4699 (12)0.250.0127*
O30.3402 (7)0.2520 (7)0.0699 (8)0.0127*
O4000.250.0127*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
???????
Geometric parameters (Å, º) top
Ca1—Ca1i3.464 (7)Ca2—Ca2xii4.1359 (14)
Ca1—Ca1ii3.484 (7)Ca2—Ca2xiii4.1359 (14)
Ca1—Sm10Ca2—Ca2viii4.136 (2)
Ca1—Sm1i3.464 (7)Ca2—Ca2xiv4.136 (2)
Ca1—Sm1ii3.484 (7)Ca2—Sm20
Ca1—Ca2iii4.042 (3)Ca2—Sm2iv3.887 (5)
Ca1—Ca2iv4.042 (3)Ca2—Sm2xi3.887 (3)
Ca1—Ca2v4.042 (4)Ca2—Si13.131 (7)
Ca1—Ca2vi4.128 (2)Ca2—Si1xi3.266 (6)
Ca1—Ca2vii4.128 (4)Ca2—O2xv2.443 (10)
Ca1—Ca2viii4.128 (3)Ca2—O3xiii2.384 (6)
Ca1—Si1vi3.236 (7)Ca2—O3xvi2.384 (6)
Ca1—Si1vii3.236 (9)Ca2—O42.244 (2)
Ca1—Si1viii3.236 (6)Sm2—Si13.131 (7)
Ca1—O12.404 (9)Sm2—O3xiii2.384 (6)
Ca1—O1ix2.404 (8)Sm2—O3xvi2.384 (6)
Ca1—O1x2.404 (12)Sm2—O42.244 (2)
Sm1—Sm1i3.464 (7)Si1—O11.560 (16)
Sm1—Sm1ii3.484 (7)Si1—O21.585 (12)
Ca2—Ca2iv3.887 (5)Si1—O31.595 (7)
Ca2—Ca2xi3.887 (3)Si1—O3ii1.595 (7)
Ca1i—Ca1—Ca1ii180Ca1xx—Ca2—Ca2xi103.30 (5)
Ca1i—Ca1—Sm10Ca1xx—Ca2—Ca2xii103.49 (9)
Ca1i—Ca1—Sm1i0Ca1xx—Ca2—Ca2xiii60.62 (8)
Ca1i—Ca1—Sm1ii180Ca1xx—Ca2—Ca2viii146.66 (9)
Ca1i—Ca1—Ca2iii115.52 (6)Ca1xx—Ca2—Ca2xiv96.40 (7)
Ca1i—Ca1—Ca2iv115.52 (6)Ca1xx—Ca2—Sm20
Ca1i—Ca1—Ca2v115.52 (7)Ca1xx—Ca2—Sm2iv150.54 (6)
Ca1i—Ca1—Ca2vi65.19 (6)Ca1xx—Ca2—Sm2xi103.30 (5)
Ca1i—Ca1—Ca2vii65.19 (6)Ca1xx—Ca2—Si1134.58 (12)
Ca1i—Ca1—Ca2viii65.19 (6)Ca1xx—Ca2—Si1xi57.75 (17)
Ca1i—Ca1—Si1vi57.64 (10)Ca1xx—Ca2—O2xv74.8 (4)
Ca1i—Ca1—Si1vii57.64 (12)Ca1xx—Ca2—O3xiii43.3 (2)
Ca1i—Ca1—Si1viii57.64 (10)Ca1xx—Ca2—O3xvi94.3 (3)
Ca1i—Ca1—O1136.4 (2)Ca1xx—Ca2—O4129.46 (6)
Ca1i—Ca1—O1ix136.44 (19)Ca2iv—Ca2—Ca2xi60.00 (5)
Ca1i—Ca1—O1x136.4 (3)Ca2iv—Ca2—Ca2xii90.00 (6)
Ca1ii—Ca1—Sm10Ca2iv—Ca2—Ca2xiii90.00 (6)
Ca1ii—Ca1—Sm1i180Ca2iv—Ca2—Ca2viii61.97 (5)
Ca1ii—Ca1—Sm1ii0Ca2iv—Ca2—Ca2xiv61.97 (5)
Ca1ii—Ca1—Ca2iii64.48 (6)Ca2iv—Ca2—Sm20
Ca1ii—Ca1—Ca2iv64.48 (6)Ca2iv—Ca2—Sm2iv0
Ca1ii—Ca1—Ca2v64.48 (7)Ca2iv—Ca2—Sm2xi60.00 (5)
Ca1ii—Ca1—Ca2vi114.81 (6)Ca2iv—Ca2—Si154.17 (15)
Ca1ii—Ca1—Ca2vii114.81 (6)Ca2iv—Ca2—Si1xi111.0 (2)
Ca1ii—Ca1—Ca2viii114.81 (6)Ca2iv—Ca2—O2xv122.2 (4)
Ca1ii—Ca1—Si1vi122.36 (10)Ca2iv—Ca2—O3xiii110.1 (2)
Ca1ii—Ca1—Si1vii122.36 (12)Ca2iv—Ca2—O3xvi110.1 (2)
Ca1ii—Ca1—Si1viii122.36 (10)Ca2iv—Ca2—O430.00 (5)
Ca1ii—Ca1—O143.6 (2)Ca2xi—Ca2—Ca2xii61.97 (4)
Ca1ii—Ca1—O1ix43.56 (19)Ca2xi—Ca2—Ca2xiii61.97 (4)
Ca1ii—Ca1—O1x43.6 (3)Ca2xi—Ca2—Ca2viii90.00 (5)
Sm1—Ca1—Sm1i0Ca2xi—Ca2—Ca2xiv90.00 (5)
Sm1—Ca1—Sm1ii0Ca2xi—Ca2—Sm20
Sm1—Ca1—Ca2iii0Ca2xi—Ca2—Sm2iv60.00 (5)
Sm1—Ca1—Ca2iv0Ca2xi—Ca2—Sm2xi0
Sm1—Ca1—Ca2v0Ca2xi—Ca2—Si1114.17 (16)
Sm1—Ca1—Ca2vi0Ca2xi—Ca2—Si1xi51.02 (19)
Sm1—Ca1—Ca2vii0Ca2xi—Ca2—O2xv177.8 (4)
Sm1—Ca1—Ca2viii0Ca2xi—Ca2—O3xiii94.39 (14)
Sm1—Ca1—Si1vi0Ca2xi—Ca2—O3xvi94.39 (14)
Sm1—Ca1—Si1vii0Ca2xi—Ca2—O430.00 (4)
Sm1—Ca1—Si1viii0Ca2xii—Ca2—Ca2xiii114.28 (5)
Sm1—Ca1—O10Ca2xii—Ca2—Ca2viii56.06 (4)
Sm1—Ca1—O1ix0Ca2xii—Ca2—Ca2xiv148.52 (9)
Sm1—Ca1—O1x0Ca2xii—Ca2—Sm20
Sm1i—Ca1—Sm1ii180Ca2xii—Ca2—Sm2iv90.00 (6)
Sm1i—Ca1—Ca2iii115.52 (6)Ca2xii—Ca2—Sm2xi61.97 (4)
Sm1i—Ca1—Ca2iv115.52 (6)Ca2xii—Ca2—Si1116.10 (8)
Sm1i—Ca1—Ca2v115.52 (7)Ca2xii—Ca2—Si1xi59.57 (6)
Sm1i—Ca1—Ca2vi65.19 (6)Ca2xii—Ca2—O2xv117.35 (14)
Sm1i—Ca1—Ca2vii65.19 (6)Ca2xii—Ca2—O3xiii136.31 (19)
Sm1i—Ca1—Ca2viii65.19 (6)Ca2xii—Ca2—O3xvi32.53 (15)
Sm1i—Ca1—Si1vi57.64 (10)Ca2xii—Ca2—O474.26 (5)
Sm1i—Ca1—Si1vii57.64 (12)Ca2xiii—Ca2—Ca2viii148.52 (9)
Sm1i—Ca1—Si1viii57.64 (10)Ca2xiii—Ca2—Ca2xiv56.06 (4)
Sm1i—Ca1—O1136.4 (2)Ca2xiii—Ca2—Sm20
Sm1i—Ca1—O1ix136.44 (19)Ca2xiii—Ca2—Sm2iv90.00 (6)
Sm1i—Ca1—O1x136.4 (3)Ca2xiii—Ca2—Sm2xi61.97 (4)
Sm1ii—Ca1—Ca2iii64.48 (6)Ca2xiii—Ca2—Si1116.10 (8)
Sm1ii—Ca1—Ca2iv64.48 (6)Ca2xiii—Ca2—Si1xi59.57 (6)
Sm1ii—Ca1—Ca2v64.48 (7)Ca2xiii—Ca2—O2xv117.35 (14)
Sm1ii—Ca1—Ca2vi114.81 (6)Ca2xiii—Ca2—O3xiii32.53 (15)
Sm1ii—Ca1—Ca2vii114.81 (6)Ca2xiii—Ca2—O3xvi136.31 (19)
Sm1ii—Ca1—Ca2viii114.81 (6)Ca2xiii—Ca2—O474.26 (5)
Sm1ii—Ca1—Si1vi122.36 (10)Ca2viii—Ca2—Ca2xiv114.28 (8)
Sm1ii—Ca1—Si1vii122.36 (12)Ca2viii—Ca2—Sm20
Sm1ii—Ca1—Si1viii122.36 (10)Ca2viii—Ca2—Sm2iv61.97 (5)
Sm1ii—Ca1—O143.6 (2)Ca2viii—Ca2—Sm2xi90.00 (5)
Sm1ii—Ca1—O1ix43.56 (19)Ca2viii—Ca2—Si160.33 (5)
Sm1ii—Ca1—O1x43.6 (3)Ca2viii—Ca2—Si1xi114.95 (8)
Ca2iii—Ca1—Ca2iv102.80 (9)Ca2viii—Ca2—O2xv91.2 (2)
Ca2iii—Ca1—Ca2v102.80 (8)Ca2viii—Ca2—O3xiii167.1 (2)
Ca2iii—Ca1—Ca2vi96.04 (4)Ca2viii—Ca2—O3xvi53.8 (2)
Ca2iii—Ca1—Ca2vii60.81 (4)Ca2viii—Ca2—O474.26 (7)
Ca2iii—Ca1—Ca2viii157.66 (5)Ca2xiv—Ca2—Sm20
Ca2iii—Ca1—Si1vi144.40 (11)Ca2xiv—Ca2—Sm2iv61.97 (5)
Ca2iii—Ca1—Si1vii60.89 (12)Ca2xiv—Ca2—Sm2xi90.00 (5)
Ca2iii—Ca1—Si1viii111.42 (18)Ca2xiv—Ca2—Si160.33 (5)
Ca2iii—Ca1—O1106.8 (3)Ca2xiv—Ca2—Si1xi114.95 (8)
Ca2iii—Ca1—O1ix61.7 (4)Ca2xiv—Ca2—O2xv91.2 (2)
Ca2iii—Ca1—O1x41.3 (3)Ca2xiv—Ca2—O3xiii53.8 (2)
Ca2iv—Ca1—Ca2v102.80 (9)Ca2xiv—Ca2—O3xvi167.1 (2)
Ca2iv—Ca1—Ca2vi157.66 (7)Ca2xiv—Ca2—O474.26 (7)
Ca2iv—Ca1—Ca2vii96.04 (5)Sm2—Ca2—Sm2iv0
Ca2iv—Ca1—Ca2viii60.81 (4)Sm2—Ca2—Sm2xi0
Ca2iv—Ca1—Si1vi111.42 (13)Sm2—Ca2—Si10
Ca2iv—Ca1—Si1vii144.40 (13)Sm2—Ca2—Si1xi0
Ca2iv—Ca1—Si1viii60.89 (6)Sm2—Ca2—O2xv0
Ca2iv—Ca1—O141.3 (2)Sm2—Ca2—O3xiii0
Ca2iv—Ca1—O1ix106.8 (3)Sm2—Ca2—O3xvi0
Ca2iv—Ca1—O1x61.7 (3)Sm2—Ca2—O40
Ca2v—Ca1—Ca2vi60.81 (3)Sm2iv—Ca2—Sm2xi60.00 (5)
Ca2v—Ca1—Ca2vii157.66 (4)Sm2iv—Ca2—Si154.17 (15)
Ca2v—Ca1—Ca2viii96.04 (5)Sm2iv—Ca2—Si1xi111.0 (2)
Ca2v—Ca1—Si1vi60.89 (7)Sm2iv—Ca2—O2xv122.2 (4)
Ca2v—Ca1—Si1vii111.42 (11)Sm2iv—Ca2—O3xiii110.1 (2)
Ca2v—Ca1—Si1viii144.40 (18)Sm2iv—Ca2—O3xvi110.1 (2)
Ca2v—Ca1—O161.7 (2)Sm2iv—Ca2—O430.00 (5)
Ca2v—Ca1—O1ix41.3 (4)Sm2xi—Ca2—Si1114.17 (16)
Ca2v—Ca1—O1x106.8 (3)Sm2xi—Ca2—Si1xi51.02 (19)
Ca2vi—Ca1—Ca2vii103.65 (8)Sm2xi—Ca2—O2xv177.8 (4)
Ca2vi—Ca1—Ca2viii103.65 (9)Sm2xi—Ca2—O3xiii94.39 (14)
Ca2vi—Ca1—Si1vi48.48 (12)Sm2xi—Ca2—O3xvi94.39 (14)
Ca2vi—Ca1—Si1vii56.62 (14)Sm2xi—Ca2—O430.00 (4)
Ca2vi—Ca1—Si1viii122.64 (15)Si1—Ca2—Si1xi165.2 (2)
Ca2vi—Ca1—O1121.4 (3)Si1—Ca2—O2xv68.0 (4)
Ca2vi—Ca1—O1ix71.80 (16)Si1—Ca2—O3xiii106.9 (2)
Ca2vi—Ca1—O1x134.8 (2)Si1—Ca2—O3xvi106.9 (2)
Ca2vii—Ca1—Ca2viii103.65 (9)Si1—Ca2—O484.17 (16)
Ca2vii—Ca1—Si1vi122.64 (16)Si1xi—Ca2—O2xv126.8 (5)
Ca2vii—Ca1—Si1vii48.48 (13)Si1xi—Ca2—O3xiii76.90 (18)
Ca2vii—Ca1—Si1viii56.62 (18)Si1xi—Ca2—O3xvi76.90 (18)
Ca2vii—Ca1—O1134.8 (3)Si1xi—Ca2—O481.02 (19)
Ca2vii—Ca1—O1ix121.4 (4)O2xv—Ca2—O3xiii84.9 (2)
Ca2vii—Ca1—O1x71.8 (3)O2xv—Ca2—O3xvi84.9 (2)
Ca2viii—Ca1—Si1vi56.62 (11)O2xv—Ca2—O4152.2 (4)
Ca2viii—Ca1—Si1vii122.64 (16)O3xiii—Ca2—O3xvi137.6 (4)
Ca2viii—Ca1—Si1viii48.48 (19)O3xiii—Ca2—O4104.06 (19)
Ca2viii—Ca1—O171.8 (2)O3xvi—Ca2—O4104.06 (19)
Ca2viii—Ca1—O1ix134.8 (4)Ca2—Sm2—Ca2iv0
Ca2viii—Ca1—O1x121.4 (2)Ca2—Sm2—Ca2xi0
Si1vi—Ca1—Si1vii94.0 (2)Ca2—Sm2—Si10
Si1vi—Ca1—Si1viii94.0 (2)Ca2—Sm2—O3xiii0
Si1vi—Ca1—O193.1 (3)Ca2—Sm2—O3xvi0
Si1vi—Ca1—O1ix98.1 (3)Ca2—Sm2—O40
Si1vi—Ca1—O1x165.4 (4)Ca2iv—Sm2—Ca2xi60.00 (5)
Si1vii—Ca1—Si1viii94.03 (18)Ca2iv—Sm2—Si154.17 (15)
Si1vii—Ca1—O1165.4 (3)Ca2iv—Sm2—O3xiii110.1 (2)
Si1vii—Ca1—O1ix93.1 (3)Ca2iv—Sm2—O3xvi110.1 (2)
Si1vii—Ca1—O1x98.1 (3)Ca2iv—Sm2—O430.00 (5)
Si1viii—Ca1—O198.1 (2)Ca2xi—Sm2—Si1114.17 (16)
Si1viii—Ca1—O1ix165.4 (2)Ca2xi—Sm2—O3xiii94.39 (14)
Si1viii—Ca1—O1x93.1 (3)Ca2xi—Sm2—O3xvi94.39 (14)
O1—Ca1—O1ix73.3 (4)Ca2xi—Sm2—O430.00 (4)
O1—Ca1—O1x73.3 (4)Si1—Sm2—O3xiii106.9 (2)
O1ix—Ca1—O1x73.3 (4)Si1—Sm2—O3xvi106.9 (2)
Ca1—Sm1—Ca1i0Si1—Sm2—O484.17 (16)
Ca1—Sm1—Ca1ii0O3xiii—Sm2—O3xvi137.6 (4)
Ca1—Sm1—Sm1i0O3xiii—Sm2—O4104.06 (19)
Ca1—Sm1—Sm1ii0O3xvi—Sm2—O4104.06 (19)
Ca1i—Sm1—Ca1ii180Ca1xviii—Si1—Ca1xix64.72 (18)
Ca1i—Sm1—Sm1i0Ca1xviii—Si1—Ca280.82 (19)
Ca1i—Sm1—Sm1ii180Ca1xviii—Si1—Ca2iv139.35 (14)
Ca1ii—Sm1—Sm1i180Ca1xviii—Si1—Sm280.82 (19)
Ca1ii—Sm1—Sm1ii0Ca1xviii—Si1—O1136.6 (3)
Sm1i—Sm1—Sm1ii180Ca1xviii—Si1—O247.6 (4)
Ca1xvii—Ca2—Ca1xviii104.86 (6)Ca1xviii—Si1—O3110.7 (5)
Ca1xvii—Ca2—Ca1xix83.96 (5)Ca1xviii—Si1—O3ii60.9 (3)
Ca1xvii—Ca2—Ca1xx51.05 (10)Ca1xix—Si1—Ca280.82 (19)
Ca1xvii—Ca2—Ca2iv150.54 (6)Ca1xix—Si1—Ca2iv139.35 (14)
Ca1xvii—Ca2—Ca2xi103.30 (5)Ca1xix—Si1—Sm280.82 (19)
Ca1xvii—Ca2—Ca2xii60.62 (8)Ca1xix—Si1—O1136.6 (3)
Ca1xvii—Ca2—Ca2xiii103.49 (9)Ca1xix—Si1—O247.6 (4)
Ca1xvii—Ca2—Ca2viii96.40 (7)Ca1xix—Si1—O360.9 (3)
Ca1xvii—Ca2—Ca2xiv146.66 (9)Ca1xix—Si1—O3ii110.7 (5)
Ca1xvii—Ca2—Sm20Ca2—Si1—Ca2iv74.81 (13)
Ca1xvii—Ca2—Sm2iv150.54 (6)Ca2—Si1—Sm20
Ca1xvii—Ca2—Sm2xi103.30 (5)Ca2—Si1—O1131.6 (4)
Ca1xvii—Ca2—Si1134.58 (12)Ca2—Si1—O2116.1 (6)
Ca1xvii—Ca2—Si1xi57.75 (17)Ca2—Si1—O351.8 (3)
Ca1xvii—Ca2—O2xv74.8 (4)Ca2—Si1—O3ii51.8 (3)
Ca1xvii—Ca2—O3xiii94.3 (3)Ca2iv—Si1—Sm274.81 (13)
Ca1xvii—Ca2—O3xvi43.3 (2)Ca2iv—Si1—O156.8 (4)
Ca1xvii—Ca2—O4129.46 (6)Ca2iv—Si1—O2169.1 (6)
Ca1xviii—Ca2—Ca1xix49.62 (9)Ca2iv—Si1—O378.5 (3)
Ca1xviii—Ca2—Ca1xx83.96 (5)Ca2iv—Si1—O3ii78.5 (3)
Ca1xviii—Ca2—Ca2iv99.01 (6)Sm2—Si1—O1131.6 (4)
Ca1xviii—Ca2—Ca2xi148.50 (7)Sm2—Si1—O2116.1 (6)
Ca1xviii—Ca2—Ca2xii146.89 (7)Sm2—Si1—O351.8 (3)
Ca1xviii—Ca2—Ca2xiii97.63 (7)Sm2—Si1—O3ii51.8 (3)
Ca1xviii—Ca2—Ca2viii100.57 (7)O1—Si1—O2112.3 (7)
Ca1xviii—Ca2—Ca2xiv58.57 (7)O1—Si1—O3112.5 (5)
Ca1xviii—Ca2—Sm20O1—Si1—O3ii112.5 (5)
Ca1xviii—Ca2—Sm2iv99.01 (6)O2—Si1—O3107.9 (5)
Ca1xviii—Ca2—Sm2xi148.50 (7)O2—Si1—O3ii107.9 (5)
Ca1xviii—Ca2—Si150.71 (12)O3—Si1—O3ii103.3 (5)
Ca1xviii—Ca2—Si1xi141.12 (16)Ca1—O1—Ca1ii92.9 (4)
Ca1xviii—Ca2—O2xv32.8 (3)Ca1—O1—Si1128.9 (3)
Ca1xviii—Ca2—O3xiii69.74 (15)Ca1ii—O1—Si1128.9 (3)
Ca1xviii—Ca2—O3xvi115.85 (15)Ca2v—O2—Si1124.1 (8)
Ca1xviii—Ca2—O4125.64 (9)Ca2viii—O3—Sm2viii0
Ca1xix—Ca2—Ca1xx104.86 (6)Ca2viii—O3—Si1140.4 (5)
Ca1xix—Ca2—Ca2iv99.01 (6)Sm2viii—O3—Si1140.4 (5)
Ca1xix—Ca2—Ca2xi148.50 (7)Ca2—O4—Ca2iv120.00 (9)
Ca1xix—Ca2—Ca2xii97.63 (7)Ca2—O4—Ca2xi120.00 (10)
Ca1xix—Ca2—Ca2xiii146.89 (7)Ca2—O4—Sm20
Ca1xix—Ca2—Ca2viii58.57 (7)Ca2—O4—Sm2iv120.00 (9)
Ca1xix—Ca2—Ca2xiv100.57 (7)Ca2—O4—Sm2xi120.00 (10)
Ca1xix—Ca2—Sm20Ca2iv—O4—Ca2xi120.00 (10)
Ca1xix—Ca2—Sm2iv99.01 (6)Ca2iv—O4—Sm2120.00 (9)
Ca1xix—Ca2—Sm2xi148.50 (7)Ca2iv—O4—Sm2iv0
Ca1xix—Ca2—Si150.71 (12)Ca2iv—O4—Sm2xi120.00 (10)
Ca1xix—Ca2—Si1xi141.12 (16)Ca2xi—O4—Sm2120.00 (10)
Ca1xix—Ca2—O2xv32.8 (3)Ca2xi—O4—Sm2iv120.00 (10)
Ca1xix—Ca2—O3xiii115.85 (15)Ca2xi—O4—Sm2xi0
Ca1xix—Ca2—O3xvi69.74 (15)Sm2—O4—Sm2iv120.00 (9)
Ca1xix—Ca2—O4125.64 (9)Sm2—O4—Sm2xi120.00 (10)
Ca1xx—Ca2—Ca2iv150.54 (6)Sm2iv—O4—Sm2xi120.00 (10)
Symmetry codes: (i) x, y, z1/2; (ii) x, y, z+1/2; (iii) x, y+1, z; (iv) y, xy, z; (v) x+y+1, x+1, z; (vi) x+1, y+1, z1/2; (vii) y, x+y+1, z1/2; (viii) xy, x, z1/2; (ix) y+1, xy+1, z; (x) x+y, x+1, z; (xi) x+y, x, z; (xii) y, x+y, z1/2; (xiii) y, x+y, z+1/2; (xiv) xy, x, z+1/2; (xv) y+1, xy, z; (xvi) y, x+y, z; (xvii) x, y1, z; (xviii) x+1, y+1, z+1/2; (xix) x+1, y+1, z; (xx) x, y1, z+1/2.
Calcium europium silicate oxyapatite (Ca-Eu) top
Crystal data top
Ca2Eu8(SiO4)6O2Z = 1
Mr = 1880.1Dx = 5.847 Mg m3
Hexagonal, P63/mCu Kα radiation, λ = 1.54188 Å
a = 9.44082 (7) ÅT = 295 K
c = 6.91804 (6) Åwhite
V = 533.99 (1) Å3flat_sheet, 25 × 25 mm
Data collection top
Bruker D8 Advance
diffractometer
Data collection mode: reflection
Radiation source: sealed X-ray tubeScan method: step
Specimen mounting: packed powder pellet2θmin = 10°, 2θmax = 70°, 2θstep = 0.009°
Refinement top
Rp = 0.0426 parameters
Rwp = 0.06Weighting scheme based on measured s.u.'s
Rexp = 0.03(Δ/σ)max = 0.032
RBragg = 0.03Background function: Chebychev
6994 data pointsPreferred 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
xyzUiso*/UeqOcc. (<1)
Ca10.3333330.6666670.0001 (8)0.0127*0.448
Eu10.3333330.6666670.0001 (8)0.0127*0.552
Ca20.23307 (17)0.0073 (3)0.250.0127*0.035
Eu20.23307 (17)0.0073 (3)0.250.0127*0.965
Si10.4006 (7)0.3715 (8)0.250.0127*
O10.3232 (12)0.4867 (12)0.250.0127*
O20.5961 (13)0.4708 (12)0.250.0127*
O30.3387 (7)0.2514 (7)0.0667 (8)0.0127*
O4000.250.0127*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
???????
Geometric parameters (Å, º) top
Ca1—Ca1i3.458 (8)Eu1—Si1vii3.215 (9)
Ca1—Ca1ii3.460 (8)Eu1—Si1viii3.215 (6)
Ca1—Eu10Eu1—O12.393 (9)
Ca1—Eu1i3.458 (8)Eu1—O1ix2.393 (8)
Ca1—Eu1ii3.460 (8)Eu1—O1x2.393 (13)
Ca1—Ca2iii4.035 (4)Ca2—Ca2iv3.872 (5)
Ca1—Ca2iv4.035 (3)Ca2—Ca2xi3.872 (3)
Ca1—Ca2v4.035 (4)Ca2—Ca2xii4.1186 (15)
Ca1—Ca2vi4.114 (3)Ca2—Ca2xiii4.1186 (15)
Ca1—Ca2vii4.114 (4)Ca2—Ca2viii4.119 (2)
Ca1—Ca2viii4.114 (3)Ca2—Ca2xiv4.119 (2)
Ca1—Eu2iii4.035 (4)Ca2—Eu20
Ca1—Eu2iv4.035 (3)Ca2—Eu2iv3.872 (5)
Ca1—Eu2v4.035 (4)Ca2—Eu2xi3.872 (3)
Ca1—Eu2vi4.114 (3)Ca2—Eu2xii4.1186 (15)
Ca1—Eu2vii4.114 (4)Ca2—Eu2xiii4.1186 (15)
Ca1—Eu2viii4.114 (3)Ca2—Eu2viii4.119 (2)
Ca1—Si1vi3.215 (7)Ca2—Eu2xiv4.119 (2)
Ca1—Si1vii3.215 (9)Ca2—Si13.104 (7)
Ca1—Si1viii3.215 (6)Ca2—Si1xi3.275 (6)
Ca1—O12.393 (9)Ca2—O2xv2.426 (10)
Ca1—O1ix2.393 (8)Ca2—O3xiii2.352 (6)
Ca1—O1x2.393 (13)Ca2—O3xvi2.352 (6)
Ca1—O2vi2.446 (11)Ca2—O42.236 (2)
Ca1—O2vii2.446 (10)Eu2—Eu2iv3.872 (5)
Ca1—O2viii2.446 (12)Eu2—Eu2xi3.872 (3)
Eu1—Eu1i3.458 (8)Eu2—Eu2xii4.1186 (15)
Eu1—Eu1ii3.460 (8)Eu2—Eu2xiii4.1186 (15)
Eu1—Ca2iii4.035 (4)Eu2—Eu2viii4.119 (2)
Eu1—Ca2iv4.035 (3)Eu2—Eu2xiv4.119 (2)
Eu1—Ca2v4.035 (4)Eu2—Si13.104 (7)
Eu1—Ca2vi4.114 (3)Eu2—Si1xi3.275 (6)
Eu1—Ca2vii4.114 (4)Eu2—O2xv2.426 (10)
Eu1—Ca2viii4.114 (3)Eu2—O3xiii2.352 (6)
Eu1—Eu2iii4.035 (4)Eu2—O3xvi2.352 (6)
Eu1—Eu2iv4.035 (3)Eu2—O42.236 (2)
Eu1—Eu2v4.035 (4)Si1—O11.585 (16)
Eu1—Eu2vi4.114 (3)Si1—O21.598 (12)
Eu1—Eu2vii4.114 (4)Si1—O31.604 (7)
Eu1—Eu2viii4.114 (3)Si1—O3ii1.604 (7)
Eu1—Si1vi3.215 (7)
Ca1i—Ca1—Ca1ii180Eu1xvii—Ca2—Si1134.45 (12)
Ca1i—Ca1—Eu10Eu1xvii—Ca2—Si1xi57.83 (17)
Ca1i—Ca1—Eu1i0Eu1xvii—Ca2—O2xv75.2 (4)
Ca1i—Ca1—Eu1ii180Eu1xvii—Ca2—O3xiii94.1 (3)
Ca1i—Ca1—Ca2iii115.39 (7)Eu1xvii—Ca2—O3xvi43.3 (3)
Ca1i—Ca1—Ca2iv115.39 (7)Eu1xvii—Ca2—O4129.31 (6)
Ca1i—Ca1—Ca2v115.39 (7)Eu1xviii—Ca2—Eu1xix49.70 (10)
Ca1i—Ca1—Ca2vi65.15 (7)Eu1xviii—Ca2—Eu1xx83.96 (5)
Ca1i—Ca1—Ca2vii65.15 (7)Eu1xviii—Ca2—Ca2iv99.26 (6)
Ca1i—Ca1—Ca2viii65.15 (7)Eu1xviii—Ca2—Ca2xi148.63 (8)
Ca1i—Ca1—Eu2iii115.39 (7)Eu1xviii—Ca2—Ca2xii146.90 (8)
Ca1i—Ca1—Eu2iv115.39 (7)Eu1xviii—Ca2—Ca2xiii97.57 (7)
Ca1i—Ca1—Eu2v115.39 (7)Eu1xviii—Ca2—Ca2viii100.73 (8)
Ca1i—Ca1—Eu2vi65.15 (7)Eu1xviii—Ca2—Ca2xiv58.69 (7)
Ca1i—Ca1—Eu2vii65.15 (7)Eu1xviii—Ca2—Eu20
Ca1i—Ca1—Eu2viii65.15 (7)Eu1xviii—Ca2—Eu2iv99.26 (6)
Ca1i—Ca1—Si1vi57.47 (11)Eu1xviii—Ca2—Eu2xi148.63 (8)
Ca1i—Ca1—Si1vii57.47 (13)Eu1xviii—Ca2—Eu2xii146.90 (8)
Ca1i—Ca1—Si1viii57.47 (10)Eu1xviii—Ca2—Eu2xiii97.57 (7)
Ca1i—Ca1—O1136.3 (2)Eu1xviii—Ca2—Eu2viii100.73 (8)
Ca1i—Ca1—O1ix136.30 (19)Eu1xviii—Ca2—Eu2xiv58.69 (7)
Ca1i—Ca1—O1x136.3 (3)Eu1xviii—Ca2—Si150.56 (12)
Ca1i—Ca1—O2vi45.0 (3)Eu1xviii—Ca2—Si1xi141.16 (16)
Ca1i—Ca1—O2vii45.0 (2)Eu1xviii—Ca2—O2xv32.5 (3)
Ca1i—Ca1—O2viii45.0 (3)Eu1xviii—Ca2—O3xiii69.84 (15)
Ca1ii—Ca1—Eu10Eu1xviii—Ca2—O3xvi116.00 (15)
Ca1ii—Ca1—Eu1i180Eu1xviii—Ca2—O4125.87 (9)
Ca1ii—Ca1—Eu1ii0Eu1xix—Ca2—Eu1xx104.79 (6)
Ca1ii—Ca1—Ca2iii64.61 (7)Eu1xix—Ca2—Ca2iv99.26 (6)
Ca1ii—Ca1—Ca2iv64.61 (7)Eu1xix—Ca2—Ca2xi148.63 (8)
Ca1ii—Ca1—Ca2v64.61 (7)Eu1xix—Ca2—Ca2xii97.57 (7)
Ca1ii—Ca1—Ca2vi114.85 (7)Eu1xix—Ca2—Ca2xiii146.90 (8)
Ca1ii—Ca1—Ca2vii114.85 (7)Eu1xix—Ca2—Ca2viii58.69 (7)
Ca1ii—Ca1—Ca2viii114.85 (7)Eu1xix—Ca2—Ca2xiv100.73 (8)
Ca1ii—Ca1—Eu2iii64.61 (7)Eu1xix—Ca2—Eu20
Ca1ii—Ca1—Eu2iv64.61 (7)Eu1xix—Ca2—Eu2iv99.26 (6)
Ca1ii—Ca1—Eu2v64.61 (7)Eu1xix—Ca2—Eu2xi148.63 (8)
Ca1ii—Ca1—Eu2vi114.85 (7)Eu1xix—Ca2—Eu2xii97.57 (7)
Ca1ii—Ca1—Eu2vii114.85 (7)Eu1xix—Ca2—Eu2xiii146.90 (8)
Ca1ii—Ca1—Eu2viii114.85 (7)Eu1xix—Ca2—Eu2viii58.69 (7)
Ca1ii—Ca1—Si1vi122.53 (11)Eu1xix—Ca2—Eu2xiv100.73 (8)
Ca1ii—Ca1—Si1vii122.53 (13)Eu1xix—Ca2—Si150.56 (12)
Ca1ii—Ca1—Si1viii122.53 (10)Eu1xix—Ca2—Si1xi141.16 (16)
Ca1ii—Ca1—O143.7 (2)Eu1xix—Ca2—O2xv32.5 (3)
Ca1ii—Ca1—O1ix43.70 (19)Eu1xix—Ca2—O3xiii116.00 (15)
Ca1ii—Ca1—O1x43.7 (3)Eu1xix—Ca2—O3xvi69.84 (15)
Ca1ii—Ca1—O2vi135.0 (3)Eu1xix—Ca2—O4125.87 (9)
Ca1ii—Ca1—O2vii135.0 (2)Eu1xx—Ca2—Ca2iv150.53 (7)
Ca1ii—Ca1—O2viii135.0 (3)Eu1xx—Ca2—Ca2xi103.10 (5)
Eu1—Ca1—Eu1i0Eu1xx—Ca2—Ca2xii103.26 (10)
Eu1—Ca1—Eu1ii0Eu1xx—Ca2—Ca2xiii60.59 (8)
Eu1—Ca1—Ca2iii0Eu1xx—Ca2—Ca2viii146.60 (9)
Eu1—Ca1—Ca2iv0Eu1xx—Ca2—Ca2xiv96.58 (8)
Eu1—Ca1—Ca2v0Eu1xx—Ca2—Eu20
Eu1—Ca1—Ca2vi0Eu1xx—Ca2—Eu2iv150.53 (7)
Eu1—Ca1—Ca2vii0Eu1xx—Ca2—Eu2xi103.10 (5)
Eu1—Ca1—Ca2viii0Eu1xx—Ca2—Eu2xii103.26 (10)
Eu1—Ca1—Eu2iii0Eu1xx—Ca2—Eu2xiii60.59 (8)
Eu1—Ca1—Eu2iv0Eu1xx—Ca2—Eu2viii146.60 (9)
Eu1—Ca1—Eu2v0Eu1xx—Ca2—Eu2xiv96.58 (8)
Eu1—Ca1—Eu2vi0Eu1xx—Ca2—Si1134.45 (12)
Eu1—Ca1—Eu2vii0Eu1xx—Ca2—Si1xi57.83 (17)
Eu1—Ca1—Eu2viii0Eu1xx—Ca2—O2xv75.2 (4)
Eu1—Ca1—Si1vi0Eu1xx—Ca2—O3xiii43.3 (3)
Eu1—Ca1—Si1vii0Eu1xx—Ca2—O3xvi94.1 (3)
Eu1—Ca1—Si1viii0Eu1xx—Ca2—O4129.31 (6)
Eu1—Ca1—O10Ca2iv—Ca2—Ca2xi60.00 (6)
Eu1—Ca1—O1ix0Ca2iv—Ca2—Ca2xii90.00 (7)
Eu1—Ca1—O1x0Ca2iv—Ca2—Ca2xiii90.00 (7)
Eu1—Ca1—O2vi0Ca2iv—Ca2—Ca2viii61.96 (6)
Eu1—Ca1—O2vii0Ca2iv—Ca2—Ca2xiv61.96 (6)
Eu1—Ca1—O2viii0Ca2iv—Ca2—Eu20
Eu1i—Ca1—Eu1ii180Ca2iv—Ca2—Eu2iv0
Eu1i—Ca1—Ca2iii115.39 (7)Ca2iv—Ca2—Eu2xi60.00 (6)
Eu1i—Ca1—Ca2iv115.39 (7)Ca2iv—Ca2—Eu2xii90.00 (7)
Eu1i—Ca1—Ca2v115.39 (7)Ca2iv—Ca2—Eu2xiii90.00 (7)
Eu1i—Ca1—Ca2vi65.15 (7)Ca2iv—Ca2—Eu2viii61.96 (6)
Eu1i—Ca1—Ca2vii65.15 (7)Ca2iv—Ca2—Eu2xiv61.96 (6)
Eu1i—Ca1—Ca2viii65.15 (7)Ca2iv—Ca2—Si154.66 (15)
Eu1i—Ca1—Eu2iii115.39 (7)Ca2iv—Ca2—Si1xi110.6 (2)
Eu1i—Ca1—Eu2iv115.39 (7)Ca2iv—Ca2—O2xv121.9 (4)
Eu1i—Ca1—Eu2v115.39 (7)Ca2iv—Ca2—O3xiii110.2 (2)
Eu1i—Ca1—Eu2vi65.15 (7)Ca2iv—Ca2—O3xvi110.2 (2)
Eu1i—Ca1—Eu2vii65.15 (7)Ca2iv—Ca2—O430.00 (5)
Eu1i—Ca1—Eu2viii65.15 (7)Ca2xi—Ca2—Ca2xii61.96 (4)
Eu1i—Ca1—Si1vi57.47 (11)Ca2xi—Ca2—Ca2xiii61.96 (4)
Eu1i—Ca1—Si1vii57.47 (13)Ca2xi—Ca2—Ca2viii90.00 (6)
Eu1i—Ca1—Si1viii57.47 (10)Ca2xi—Ca2—Ca2xiv90.00 (6)
Eu1i—Ca1—O1136.3 (2)Ca2xi—Ca2—Eu20
Eu1i—Ca1—O1ix136.30 (19)Ca2xi—Ca2—Eu2iv60.00 (6)
Eu1i—Ca1—O1x136.3 (3)Ca2xi—Ca2—Eu2xi0
Eu1i—Ca1—O2vi45.0 (3)Ca2xi—Ca2—Eu2xii61.96 (4)
Eu1i—Ca1—O2vii45.0 (2)Ca2xi—Ca2—Eu2xiii61.96 (4)
Eu1i—Ca1—O2viii45.0 (3)Ca2xi—Ca2—Eu2viii90.00 (6)
Eu1ii—Ca1—Ca2iii64.61 (7)Ca2xi—Ca2—Eu2xiv90.00 (6)
Eu1ii—Ca1—Ca2iv64.61 (7)Ca2xi—Ca2—Si1114.66 (16)
Eu1ii—Ca1—Ca2v64.61 (7)Ca2xi—Ca2—Si1xi50.64 (19)
Eu1ii—Ca1—Ca2vi114.85 (7)Ca2xi—Ca2—O2xv178.1 (4)
Eu1ii—Ca1—Ca2vii114.85 (7)Ca2xi—Ca2—O3xiii94.20 (14)
Eu1ii—Ca1—Ca2viii114.85 (7)Ca2xi—Ca2—O3xvi94.20 (14)
Eu1ii—Ca1—Eu2iii64.61 (7)Ca2xi—Ca2—O430.00 (4)
Eu1ii—Ca1—Eu2iv64.61 (7)Ca2xii—Ca2—Ca2xiii114.25 (5)
Eu1ii—Ca1—Eu2v64.61 (7)Ca2xii—Ca2—Ca2viii56.08 (4)
Eu1ii—Ca1—Eu2vi114.85 (7)Ca2xii—Ca2—Ca2xiv148.50 (9)
Eu1ii—Ca1—Eu2vii114.85 (7)Ca2xii—Ca2—Eu20
Eu1ii—Ca1—Eu2viii114.85 (7)Ca2xii—Ca2—Eu2iv90.00 (7)
Eu1ii—Ca1—Si1vi122.53 (11)Ca2xii—Ca2—Eu2xi61.96 (4)
Eu1ii—Ca1—Si1vii122.53 (13)Ca2xii—Ca2—Eu2xii0
Eu1ii—Ca1—Si1viii122.53 (10)Ca2xii—Ca2—Eu2xiii114.25 (5)
Eu1ii—Ca1—O143.7 (2)Ca2xii—Ca2—Eu2viii56.08 (4)
Eu1ii—Ca1—O1ix43.70 (19)Ca2xii—Ca2—Eu2xiv148.50 (9)
Eu1ii—Ca1—O1x43.7 (3)Ca2xii—Ca2—Si1116.28 (8)
Eu1ii—Ca1—O2vi135.0 (3)Ca2xii—Ca2—Si1xi59.47 (6)
Eu1ii—Ca1—O2vii135.0 (2)Ca2xii—Ca2—O2xv117.43 (14)
Eu1ii—Ca1—O2viii135.0 (3)Ca2xii—Ca2—O3xiii136.1 (2)
Ca2iii—Ca1—Ca2iv102.95 (10)Ca2xii—Ca2—O3xvi32.37 (15)
Ca2iii—Ca1—Ca2v102.95 (9)Ca2xii—Ca2—O474.25 (5)
Ca2iii—Ca1—Ca2vi96.04 (4)Ca2xiii—Ca2—Ca2viii148.50 (9)
Ca2iii—Ca1—Ca2vii60.71 (4)Ca2xiii—Ca2—Ca2xiv56.08 (4)
Ca2iii—Ca1—Ca2viii157.62 (5)Ca2xiii—Ca2—Eu20
Ca2iii—Ca1—Eu2iii0Ca2xiii—Ca2—Eu2iv90.00 (7)
Ca2iii—Ca1—Eu2iv102.95 (10)Ca2xiii—Ca2—Eu2xi61.96 (4)
Ca2iii—Ca1—Eu2v102.95 (9)Ca2xiii—Ca2—Eu2xii114.25 (5)
Ca2iii—Ca1—Eu2vi96.04 (4)Ca2xiii—Ca2—Eu2xiii0
Ca2iii—Ca1—Eu2vii60.71 (4)Ca2xiii—Ca2—Eu2viii148.50 (9)
Ca2iii—Ca1—Eu2viii157.62 (5)Ca2xiii—Ca2—Eu2xiv56.08 (4)
Ca2iii—Ca1—Si1vi144.17 (11)Ca2xiii—Ca2—Si1116.28 (8)
Ca2iii—Ca1—Si1vii60.87 (12)Ca2xiii—Ca2—Si1xi59.47 (6)
Ca2iii—Ca1—Si1viii111.59 (18)Ca2xiii—Ca2—O2xv117.43 (14)
Ca2iii—Ca1—O1106.9 (3)Ca2xiii—Ca2—O3xiii32.37 (15)
Ca2iii—Ca1—O1ix62.5 (4)Ca2xiii—Ca2—O3xvi136.1 (2)
Ca2iii—Ca1—O1x40.7 (3)Ca2xiii—Ca2—O474.25 (5)
Ca2iii—Ca1—O2vi159.7 (3)Ca2viii—Ca2—Ca2xiv114.25 (8)
Ca2iii—Ca1—O2vii85.6 (4)Ca2viii—Ca2—Eu20
Ca2iii—Ca1—O2viii92.8 (4)Ca2viii—Ca2—Eu2iv61.96 (6)
Ca2iv—Ca1—Ca2v102.95 (9)Ca2viii—Ca2—Eu2xi90.00 (6)
Ca2iv—Ca1—Ca2vi157.62 (7)Ca2viii—Ca2—Eu2xii56.08 (4)
Ca2iv—Ca1—Ca2vii96.04 (5)Ca2viii—Ca2—Eu2xiii148.50 (9)
Ca2iv—Ca1—Ca2viii60.71 (4)Ca2viii—Ca2—Eu2viii0
Ca2iv—Ca1—Eu2iii102.95 (10)Ca2viii—Ca2—Eu2xiv114.25 (8)
Ca2iv—Ca1—Eu2iv0Ca2viii—Ca2—Si160.44 (5)
Ca2iv—Ca1—Eu2v102.95 (9)Ca2viii—Ca2—Si1xi114.82 (8)
Ca2iv—Ca1—Eu2vi157.62 (7)Ca2viii—Ca2—O2xv91.0 (2)
Ca2iv—Ca1—Eu2vii96.04 (5)Ca2viii—Ca2—O3xiii167.3 (2)
Ca2iv—Ca1—Eu2viii60.71 (4)Ca2viii—Ca2—O3xvi53.9 (2)
Ca2iv—Ca1—Si1vi111.59 (13)Ca2viii—Ca2—O474.25 (7)
Ca2iv—Ca1—Si1vii144.17 (14)Ca2xiv—Ca2—Eu20
Ca2iv—Ca1—Si1viii60.87 (6)Ca2xiv—Ca2—Eu2iv61.96 (6)
Ca2iv—Ca1—O140.7 (2)Ca2xiv—Ca2—Eu2xi90.00 (6)
Ca2iv—Ca1—O1ix106.9 (3)Ca2xiv—Ca2—Eu2xii148.50 (9)
Ca2iv—Ca1—O1x62.5 (3)Ca2xiv—Ca2—Eu2xiii56.08 (4)
Ca2iv—Ca1—O2vi92.76 (19)Ca2xiv—Ca2—Eu2viii114.25 (8)
Ca2iv—Ca1—O2vii159.7 (2)Ca2xiv—Ca2—Eu2xiv0
Ca2iv—Ca1—O2viii85.6 (2)Ca2xiv—Ca2—Si160.44 (5)
Ca2v—Ca1—Ca2vi60.71 (3)Ca2xiv—Ca2—Si1xi114.82 (8)
Ca2v—Ca1—Ca2vii157.62 (4)Ca2xiv—Ca2—O2xv91.0 (2)
Ca2v—Ca1—Ca2viii96.04 (5)Ca2xiv—Ca2—O3xiii53.9 (2)
Ca2v—Ca1—Eu2iii102.95 (9)Ca2xiv—Ca2—O3xvi167.3 (2)
Ca2v—Ca1—Eu2iv102.95 (9)Ca2xiv—Ca2—O474.25 (7)
Ca2v—Ca1—Eu2v0Eu2—Ca2—Eu2iv0
Ca2v—Ca1—Eu2vi60.71 (3)Eu2—Ca2—Eu2xi0
Ca2v—Ca1—Eu2vii157.62 (4)Eu2—Ca2—Eu2xii0
Ca2v—Ca1—Eu2viii96.04 (5)Eu2—Ca2—Eu2xiii0
Ca2v—Ca1—Si1vi60.87 (7)Eu2—Ca2—Eu2viii0
Ca2v—Ca1—Si1vii111.59 (11)Eu2—Ca2—Eu2xiv0
Ca2v—Ca1—Si1viii144.17 (18)Eu2—Ca2—Si10
Ca2v—Ca1—O162.5 (2)Eu2—Ca2—Si1xi0
Ca2v—Ca1—O1ix40.7 (4)Eu2—Ca2—O2xv0
Ca2v—Ca1—O1x106.9 (3)Eu2—Ca2—O3xiii0
Ca2v—Ca1—O2vi85.6 (2)Eu2—Ca2—O3xvi0
Ca2v—Ca1—O2vii92.8 (3)Eu2—Ca2—O40
Ca2v—Ca1—O2viii159.7 (3)Eu2iv—Ca2—Eu2xi60.00 (6)
Ca2vi—Ca1—Ca2vii103.60 (9)Eu2iv—Ca2—Eu2xii90.00 (7)
Ca2vi—Ca1—Ca2viii103.60 (9)Eu2iv—Ca2—Eu2xiii90.00 (7)
Ca2vi—Ca1—Eu2iii96.04 (4)Eu2iv—Ca2—Eu2viii61.96 (6)
Ca2vi—Ca1—Eu2iv157.62 (7)Eu2iv—Ca2—Eu2xiv61.96 (6)
Ca2vi—Ca1—Eu2v60.71 (3)Eu2iv—Ca2—Si154.66 (15)
Ca2vi—Ca1—Eu2vi0Eu2iv—Ca2—Si1xi110.6 (2)
Ca2vi—Ca1—Eu2vii103.60 (9)Eu2iv—Ca2—O2xv121.9 (4)
Ca2vi—Ca1—Eu2viii103.60 (9)Eu2iv—Ca2—O3xiii110.2 (2)
Ca2vi—Ca1—Si1vi48.22 (12)Eu2iv—Ca2—O3xvi110.2 (2)
Ca2vi—Ca1—Si1vii56.79 (14)Eu2iv—Ca2—O430.00 (5)
Ca2vi—Ca1—Si1viii122.41 (17)Eu2xi—Ca2—Eu2xii61.96 (4)
Ca2vi—Ca1—O1122.0 (3)Eu2xi—Ca2—Eu2xiii61.96 (4)
Ca2vi—Ca1—O1ix71.61 (16)Eu2xi—Ca2—Eu2viii90.00 (6)
Ca2vi—Ca1—O1x134.2 (2)Eu2xi—Ca2—Eu2xiv90.00 (6)
Ca2vi—Ca1—O2vi71.9 (2)Eu2xi—Ca2—Si1114.66 (16)
Ca2vi—Ca1—O2vii32.2 (3)Eu2xi—Ca2—Si1xi50.64 (19)
Ca2vi—Ca1—O2viii105.4 (2)Eu2xi—Ca2—O2xv178.1 (4)
Ca2vii—Ca1—Ca2viii103.60 (10)Eu2xi—Ca2—O3xiii94.20 (14)
Ca2vii—Ca1—Eu2iii60.71 (4)Eu2xi—Ca2—O3xvi94.20 (14)
Ca2vii—Ca1—Eu2iv96.04 (5)Eu2xi—Ca2—O430.00 (4)
Ca2vii—Ca1—Eu2v157.62 (4)Eu2xii—Ca2—Eu2xiii114.25 (5)
Ca2vii—Ca1—Eu2vi103.60 (9)Eu2xii—Ca2—Eu2viii56.08 (4)
Ca2vii—Ca1—Eu2vii0Eu2xii—Ca2—Eu2xiv148.50 (9)
Ca2vii—Ca1—Eu2viii103.60 (10)Eu2xii—Ca2—Si1116.28 (8)
Ca2vii—Ca1—Si1vi122.41 (17)Eu2xii—Ca2—Si1xi59.47 (6)
Ca2vii—Ca1—Si1vii48.22 (13)Eu2xii—Ca2—O2xv117.43 (14)
Ca2vii—Ca1—Si1viii56.79 (18)Eu2xii—Ca2—O3xiii136.1 (2)
Ca2vii—Ca1—O1134.2 (3)Eu2xii—Ca2—O3xvi32.37 (15)
Ca2vii—Ca1—O1ix122.0 (4)Eu2xii—Ca2—O474.25 (5)
Ca2vii—Ca1—O1x71.6 (3)Eu2xiii—Ca2—Eu2viii148.50 (9)
Ca2vii—Ca1—O2vi105.4 (3)Eu2xiii—Ca2—Eu2xiv56.08 (4)
Ca2vii—Ca1—O2vii71.9 (3)Eu2xiii—Ca2—Si1116.28 (8)
Ca2vii—Ca1—O2viii32.2 (4)Eu2xiii—Ca2—Si1xi59.47 (6)
Ca2viii—Ca1—Eu2iii157.62 (5)Eu2xiii—Ca2—O2xv117.43 (14)
Ca2viii—Ca1—Eu2iv60.71 (4)Eu2xiii—Ca2—O3xiii32.37 (15)
Ca2viii—Ca1—Eu2v96.04 (5)Eu2xiii—Ca2—O3xvi136.1 (2)
Ca2viii—Ca1—Eu2vi103.60 (9)Eu2xiii—Ca2—O474.25 (5)
Ca2viii—Ca1—Eu2vii103.60 (10)Eu2viii—Ca2—Eu2xiv114.25 (8)
Ca2viii—Ca1—Eu2viii0Eu2viii—Ca2—Si160.44 (5)
Ca2viii—Ca1—Si1vi56.79 (12)Eu2viii—Ca2—Si1xi114.82 (8)
Ca2viii—Ca1—Si1vii122.41 (18)Eu2viii—Ca2—O2xv91.0 (2)
Ca2viii—Ca1—Si1viii48.22 (19)Eu2viii—Ca2—O3xiii167.3 (2)
Ca2viii—Ca1—O171.6 (2)Eu2viii—Ca2—O3xvi53.9 (2)
Ca2viii—Ca1—O1ix134.2 (4)Eu2viii—Ca2—O474.25 (7)
Ca2viii—Ca1—O1x122.0 (2)Eu2xiv—Ca2—Si160.44 (5)
Ca2viii—Ca1—O2vi32.23 (19)Eu2xiv—Ca2—Si1xi114.82 (8)
Ca2viii—Ca1—O2vii105.4 (3)Eu2xiv—Ca2—O2xv91.0 (2)
Ca2viii—Ca1—O2viii71.9 (4)Eu2xiv—Ca2—O3xiii53.9 (2)
Eu2iii—Ca1—Eu2iv102.95 (10)Eu2xiv—Ca2—O3xvi167.3 (2)
Eu2iii—Ca1—Eu2v102.95 (9)Eu2xiv—Ca2—O474.25 (7)
Eu2iii—Ca1—Eu2vi96.04 (4)Si1—Ca2—Si1xi165.3 (2)
Eu2iii—Ca1—Eu2vii60.71 (4)Si1—Ca2—O2xv67.3 (4)
Eu2iii—Ca1—Eu2viii157.62 (5)Si1—Ca2—O3xiii107.0 (2)
Eu2iii—Ca1—Si1vi144.17 (11)Si1—Ca2—O3xvi107.0 (2)
Eu2iii—Ca1—Si1vii60.87 (12)Si1—Ca2—O484.66 (16)
Eu2iii—Ca1—Si1viii111.59 (18)Si1xi—Ca2—O2xv127.4 (5)
Eu2iii—Ca1—O1106.9 (3)Si1xi—Ca2—O3xiii76.77 (18)
Eu2iii—Ca1—O1ix62.5 (4)Si1xi—Ca2—O3xvi76.77 (18)
Eu2iii—Ca1—O1x40.7 (3)Si1xi—Ca2—O480.64 (19)
Eu2iii—Ca1—O2vi159.7 (3)O2xv—Ca2—O3xiii85.1 (2)
Eu2iii—Ca1—O2vii85.6 (4)O2xv—Ca2—O3xvi85.1 (2)
Eu2iii—Ca1—O2viii92.8 (4)O2xv—Ca2—O4151.9 (4)
Eu2iv—Ca1—Eu2v102.95 (9)O3xiii—Ca2—O3xvi137.4 (4)
Eu2iv—Ca1—Eu2vi157.62 (7)O3xiii—Ca2—O4103.97 (19)
Eu2iv—Ca1—Eu2vii96.04 (5)O3xvi—Ca2—O4103.97 (19)
Eu2iv—Ca1—Eu2viii60.71 (4)Ca1xvii—Eu2—Ca1xviii104.79 (6)
Eu2iv—Ca1—Si1vi111.59 (13)Ca1xvii—Eu2—Ca1xix83.96 (5)
Eu2iv—Ca1—Si1vii144.17 (14)Ca1xvii—Eu2—Ca1xx50.79 (11)
Eu2iv—Ca1—Si1viii60.87 (6)Ca1xvii—Eu2—Eu1xvii0
Eu2iv—Ca1—O140.7 (2)Ca1xvii—Eu2—Eu1xviii104.79 (6)
Eu2iv—Ca1—O1ix106.9 (3)Ca1xvii—Eu2—Eu1xix83.96 (5)
Eu2iv—Ca1—O1x62.5 (3)Ca1xvii—Eu2—Eu1xx50.79 (11)
Eu2iv—Ca1—O2vi92.76 (19)Ca1xvii—Eu2—Ca20
Eu2iv—Ca1—O2vii159.7 (2)Ca1xvii—Eu2—Ca2iv150.53 (7)
Eu2iv—Ca1—O2viii85.6 (2)Ca1xvii—Eu2—Ca2xi103.10 (5)
Eu2v—Ca1—Eu2vi60.71 (3)Ca1xvii—Eu2—Ca2xii60.59 (8)
Eu2v—Ca1—Eu2vii157.62 (4)Ca1xvii—Eu2—Ca2xiii103.26 (10)
Eu2v—Ca1—Eu2viii96.04 (5)Ca1xvii—Eu2—Ca2viii96.58 (8)
Eu2v—Ca1—Si1vi60.87 (7)Ca1xvii—Eu2—Ca2xiv146.60 (9)
Eu2v—Ca1—Si1vii111.59 (11)Ca1xvii—Eu2—Eu2iv150.53 (7)
Eu2v—Ca1—Si1viii144.17 (18)Ca1xvii—Eu2—Eu2xi103.10 (5)
Eu2v—Ca1—O162.5 (2)Ca1xvii—Eu2—Eu2xii60.59 (8)
Eu2v—Ca1—O1ix40.7 (4)Ca1xvii—Eu2—Eu2xiii103.26 (10)
Eu2v—Ca1—O1x106.9 (3)Ca1xvii—Eu2—Eu2viii96.58 (8)
Eu2v—Ca1—O2vi85.6 (2)Ca1xvii—Eu2—Eu2xiv146.60 (9)
Eu2v—Ca1—O2vii92.8 (3)Ca1xvii—Eu2—Si1134.45 (12)
Eu2v—Ca1—O2viii159.7 (3)Ca1xvii—Eu2—Si1xi57.83 (17)
Eu2vi—Ca1—Eu2vii103.60 (9)Ca1xvii—Eu2—O2xv75.2 (4)
Eu2vi—Ca1—Eu2viii103.60 (9)Ca1xvii—Eu2—O3xiii94.1 (3)
Eu2vi—Ca1—Si1vi48.22 (12)Ca1xvii—Eu2—O3xvi43.3 (3)
Eu2vi—Ca1—Si1vii56.79 (14)Ca1xvii—Eu2—O4129.31 (6)
Eu2vi—Ca1—Si1viii122.41 (17)Ca1xviii—Eu2—Ca1xix49.70 (10)
Eu2vi—Ca1—O1122.0 (3)Ca1xviii—Eu2—Ca1xx83.96 (5)
Eu2vi—Ca1—O1ix71.61 (16)Ca1xviii—Eu2—Eu1xvii104.79 (6)
Eu2vi—Ca1—O1x134.2 (2)Ca1xviii—Eu2—Eu1xviii0
Eu2vi—Ca1—O2vi71.9 (2)Ca1xviii—Eu2—Eu1xix49.70 (10)
Eu2vi—Ca1—O2vii32.2 (3)Ca1xviii—Eu2—Eu1xx83.96 (5)
Eu2vi—Ca1—O2viii105.4 (2)Ca1xviii—Eu2—Ca20
Eu2vii—Ca1—Eu2viii103.60 (10)Ca1xviii—Eu2—Ca2iv99.26 (6)
Eu2vii—Ca1—Si1vi122.41 (17)Ca1xviii—Eu2—Ca2xi148.63 (8)
Eu2vii—Ca1—Si1vii48.22 (13)Ca1xviii—Eu2—Ca2xii146.90 (8)
Eu2vii—Ca1—Si1viii56.79 (18)Ca1xviii—Eu2—Ca2xiii97.57 (7)
Eu2vii—Ca1—O1134.2 (3)Ca1xviii—Eu2—Ca2viii100.73 (8)
Eu2vii—Ca1—O1ix122.0 (4)Ca1xviii—Eu2—Ca2xiv58.69 (7)
Eu2vii—Ca1—O1x71.6 (3)Ca1xviii—Eu2—Eu2iv99.26 (6)
Eu2vii—Ca1—O2vi105.4 (3)Ca1xviii—Eu2—Eu2xi148.63 (8)
Eu2vii—Ca1—O2vii71.9 (3)Ca1xviii—Eu2—Eu2xii146.90 (8)
Eu2vii—Ca1—O2viii32.2 (4)Ca1xviii—Eu2—Eu2xiii97.57 (7)
Eu2viii—Ca1—Si1vi56.79 (12)Ca1xviii—Eu2—Eu2viii100.73 (8)
Eu2viii—Ca1—Si1vii122.41 (18)Ca1xviii—Eu2—Eu2xiv58.69 (7)
Eu2viii—Ca1—Si1viii48.22 (19)Ca1xviii—Eu2—Si150.56 (12)
Eu2viii—Ca1—O171.6 (2)Ca1xviii—Eu2—Si1xi141.16 (16)
Eu2viii—Ca1—O1ix134.2 (4)Ca1xviii—Eu2—O2xv32.5 (3)
Eu2viii—Ca1—O1x122.0 (2)Ca1xviii—Eu2—O3xiii69.84 (15)
Eu2viii—Ca1—O2vi32.23 (19)Ca1xviii—Eu2—O3xvi116.00 (15)
Eu2viii—Ca1—O2vii105.4 (3)Ca1xviii—Eu2—O4125.87 (9)
Eu2viii—Ca1—O2viii71.9 (4)Ca1xix—Eu2—Ca1xx104.79 (6)
Si1vi—Ca1—Si1vii93.8 (2)Ca1xix—Eu2—Eu1xvii83.96 (5)
Si1vi—Ca1—Si1viii93.8 (2)Ca1xix—Eu2—Eu1xviii49.70 (10)
Si1vi—Ca1—O193.7 (3)Ca1xix—Eu2—Eu1xix0
Si1vi—Ca1—O1ix97.5 (3)Ca1xix—Eu2—Eu1xx104.79 (6)
Si1vi—Ca1—O1x165.9 (4)Ca1xix—Eu2—Ca20
Si1vi—Ca1—O2vi28.9 (2)Ca1xix—Eu2—Ca2iv99.26 (6)
Si1vi—Ca1—O2vii65.1 (4)Ca1xix—Eu2—Ca2xi148.63 (8)
Si1vi—Ca1—O2viii98.9 (4)Ca1xix—Eu2—Ca2xii97.57 (7)
Si1vii—Ca1—Si1viii93.79 (18)Ca1xix—Eu2—Ca2xiii146.90 (8)
Si1vii—Ca1—O1165.9 (3)Ca1xix—Eu2—Ca2viii58.69 (7)
Si1vii—Ca1—O1ix93.7 (4)Ca1xix—Eu2—Ca2xiv100.73 (8)
Si1vii—Ca1—O1x97.5 (3)Ca1xix—Eu2—Eu2iv99.26 (6)
Si1vii—Ca1—O2vi98.9 (3)Ca1xix—Eu2—Eu2xi148.63 (8)
Si1vii—Ca1—O2vii28.9 (4)Ca1xix—Eu2—Eu2xii97.57 (7)
Si1vii—Ca1—O2viii65.1 (3)Ca1xix—Eu2—Eu2xiii146.90 (8)
Si1viii—Ca1—O197.5 (2)Ca1xix—Eu2—Eu2viii58.69 (7)
Si1viii—Ca1—O1ix165.9 (2)Ca1xix—Eu2—Eu2xiv100.73 (8)
Si1viii—Ca1—O1x93.7 (3)Ca1xix—Eu2—Si150.56 (12)
Si1viii—Ca1—O2vi65.1 (3)Ca1xix—Eu2—Si1xi141.16 (16)
Si1viii—Ca1—O2vii98.9 (2)Ca1xix—Eu2—O2xv32.5 (3)
Si1viii—Ca1—O2viii28.9 (3)Ca1xix—Eu2—O3xiii116.00 (15)
O1—Ca1—O1ix73.5 (4)Ca1xix—Eu2—O3xvi69.84 (15)
O1—Ca1—O1x73.5 (4)Ca1xix—Eu2—O4125.87 (9)
O1—Ca1—O2vi93.4 (3)Ca1xx—Eu2—Eu1xvii50.79 (11)
O1—Ca1—O2vii153.9 (4)Ca1xx—Eu2—Eu1xviii83.96 (5)
O1—Ca1—O2viii125.2 (3)Ca1xx—Eu2—Eu1xix104.79 (6)
O1ix—Ca1—O1x73.5 (4)Ca1xx—Eu2—Eu1xx0
O1ix—Ca1—O2vi125.2 (4)Ca1xx—Eu2—Ca20
O1ix—Ca1—O2vii93.4 (3)Ca1xx—Eu2—Ca2iv150.53 (7)
O1ix—Ca1—O2viii153.9 (5)Ca1xx—Eu2—Ca2xi103.10 (5)
O1x—Ca1—O2vi153.9 (3)Ca1xx—Eu2—Ca2xii103.26 (10)
O1x—Ca1—O2vii125.2 (5)Ca1xx—Eu2—Ca2xiii60.59 (8)
O1x—Ca1—O2viii93.4 (4)Ca1xx—Eu2—Ca2viii146.60 (9)
O2vi—Ca1—O2vii75.6 (4)Ca1xx—Eu2—Ca2xiv96.58 (8)
O2vi—Ca1—O2viii75.6 (5)Ca1xx—Eu2—Eu2iv150.53 (7)
O2vii—Ca1—O2viii75.6 (3)Ca1xx—Eu2—Eu2xi103.10 (5)
Ca1—Eu1—Ca1i0Ca1xx—Eu2—Eu2xii103.26 (10)
Ca1—Eu1—Ca1ii0Ca1xx—Eu2—Eu2xiii60.59 (8)
Ca1—Eu1—Eu1i0Ca1xx—Eu2—Eu2viii146.60 (9)
Ca1—Eu1—Eu1ii0Ca1xx—Eu2—Eu2xiv96.58 (8)
Ca1—Eu1—Ca2iii0Ca1xx—Eu2—Si1134.45 (12)
Ca1—Eu1—Ca2iv0Ca1xx—Eu2—Si1xi57.83 (17)
Ca1—Eu1—Ca2v0Ca1xx—Eu2—O2xv75.2 (4)
Ca1—Eu1—Ca2vi0Ca1xx—Eu2—O3xiii43.3 (3)
Ca1—Eu1—Ca2vii0Ca1xx—Eu2—O3xvi94.1 (3)
Ca1—Eu1—Ca2viii0Ca1xx—Eu2—O4129.31 (6)
Ca1—Eu1—Eu2iii0Eu1xvii—Eu2—Eu1xviii104.79 (6)
Ca1—Eu1—Eu2iv0Eu1xvii—Eu2—Eu1xix83.96 (5)
Ca1—Eu1—Eu2v0Eu1xvii—Eu2—Eu1xx50.79 (11)
Ca1—Eu1—Eu2vi0Eu1xvii—Eu2—Ca20
Ca1—Eu1—Eu2vii0Eu1xvii—Eu2—Ca2iv150.53 (7)
Ca1—Eu1—Eu2viii0Eu1xvii—Eu2—Ca2xi103.10 (5)
Ca1—Eu1—Si1vi0Eu1xvii—Eu2—Ca2xii60.59 (8)
Ca1—Eu1—Si1vii0Eu1xvii—Eu2—Ca2xiii103.26 (10)
Ca1—Eu1—Si1viii0Eu1xvii—Eu2—Ca2viii96.58 (8)
Ca1—Eu1—O10Eu1xvii—Eu2—Ca2xiv146.60 (9)
Ca1—Eu1—O1ix0Eu1xvii—Eu2—Eu2iv150.53 (7)
Ca1—Eu1—O1x0Eu1xvii—Eu2—Eu2xi103.10 (5)
Ca1i—Eu1—Ca1ii180Eu1xvii—Eu2—Eu2xii60.59 (8)
Ca1i—Eu1—Eu1i0Eu1xvii—Eu2—Eu2xiii103.26 (10)
Ca1i—Eu1—Eu1ii180Eu1xvii—Eu2—Eu2viii96.58 (8)
Ca1i—Eu1—Ca2iii115.39 (7)Eu1xvii—Eu2—Eu2xiv146.60 (9)
Ca1i—Eu1—Ca2iv115.39 (7)Eu1xvii—Eu2—Si1134.45 (12)
Ca1i—Eu1—Ca2v115.39 (7)Eu1xvii—Eu2—Si1xi57.83 (17)
Ca1i—Eu1—Ca2vi65.15 (7)Eu1xvii—Eu2—O2xv75.2 (4)
Ca1i—Eu1—Ca2vii65.15 (7)Eu1xvii—Eu2—O3xiii94.1 (3)
Ca1i—Eu1—Ca2viii65.15 (7)Eu1xvii—Eu2—O3xvi43.3 (3)
Ca1i—Eu1—Eu2iii115.39 (7)Eu1xvii—Eu2—O4129.31 (6)
Ca1i—Eu1—Eu2iv115.39 (7)Eu1xviii—Eu2—Eu1xix49.70 (10)
Ca1i—Eu1—Eu2v115.39 (7)Eu1xviii—Eu2—Eu1xx83.96 (5)
Ca1i—Eu1—Eu2vi65.15 (7)Eu1xviii—Eu2—Ca20
Ca1i—Eu1—Eu2vii65.15 (7)Eu1xviii—Eu2—Ca2iv99.26 (6)
Ca1i—Eu1—Eu2viii65.15 (7)Eu1xviii—Eu2—Ca2xi148.63 (8)
Ca1i—Eu1—Si1vi57.47 (11)Eu1xviii—Eu2—Ca2xii146.90 (8)
Ca1i—Eu1—Si1vii57.47 (13)Eu1xviii—Eu2—Ca2xiii97.57 (7)
Ca1i—Eu1—Si1viii57.47 (10)Eu1xviii—Eu2—Ca2viii100.73 (8)
Ca1i—Eu1—O1136.3 (2)Eu1xviii—Eu2—Ca2xiv58.69 (7)
Ca1i—Eu1—O1ix136.30 (19)Eu1xviii—Eu2—Eu2iv99.26 (6)
Ca1i—Eu1—O1x136.3 (3)Eu1xviii—Eu2—Eu2xi148.63 (8)
Ca1ii—Eu1—Eu1i180Eu1xviii—Eu2—Eu2xii146.90 (8)
Ca1ii—Eu1—Eu1ii0Eu1xviii—Eu2—Eu2xiii97.57 (7)
Ca1ii—Eu1—Ca2iii64.61 (7)Eu1xviii—Eu2—Eu2viii100.73 (8)
Ca1ii—Eu1—Ca2iv64.61 (7)Eu1xviii—Eu2—Eu2xiv58.69 (7)
Ca1ii—Eu1—Ca2v64.61 (7)Eu1xviii—Eu2—Si150.56 (12)
Ca1ii—Eu1—Ca2vi114.85 (7)Eu1xviii—Eu2—Si1xi141.16 (16)
Ca1ii—Eu1—Ca2vii114.85 (7)Eu1xviii—Eu2—O2xv32.5 (3)
Ca1ii—Eu1—Ca2viii114.85 (7)Eu1xviii—Eu2—O3xiii69.84 (15)
Ca1ii—Eu1—Eu2iii64.61 (7)Eu1xviii—Eu2—O3xvi116.00 (15)
Ca1ii—Eu1—Eu2iv64.61 (7)Eu1xviii—Eu2—O4125.87 (9)
Ca1ii—Eu1—Eu2v64.61 (7)Eu1xix—Eu2—Eu1xx104.79 (6)
Ca1ii—Eu1—Eu2vi114.85 (7)Eu1xix—Eu2—Ca20
Ca1ii—Eu1—Eu2vii114.85 (7)Eu1xix—Eu2—Ca2iv99.26 (6)
Ca1ii—Eu1—Eu2viii114.85 (7)Eu1xix—Eu2—Ca2xi148.63 (8)
Ca1ii—Eu1—Si1vi122.53 (11)Eu1xix—Eu2—Ca2xii97.57 (7)
Ca1ii—Eu1—Si1vii122.53 (13)Eu1xix—Eu2—Ca2xiii146.90 (8)
Ca1ii—Eu1—Si1viii122.53 (10)Eu1xix—Eu2—Ca2viii58.69 (7)
Ca1ii—Eu1—O143.7 (2)Eu1xix—Eu2—Ca2xiv100.73 (8)
Ca1ii—Eu1—O1ix43.70 (19)Eu1xix—Eu2—Eu2iv99.26 (6)
Ca1ii—Eu1—O1x43.7 (3)Eu1xix—Eu2—Eu2xi148.63 (8)
Eu1i—Eu1—Eu1ii180Eu1xix—Eu2—Eu2xii97.57 (7)
Eu1i—Eu1—Ca2iii115.39 (7)Eu1xix—Eu2—Eu2xiii146.90 (8)
Eu1i—Eu1—Ca2iv115.39 (7)Eu1xix—Eu2—Eu2viii58.69 (7)
Eu1i—Eu1—Ca2v115.39 (7)Eu1xix—Eu2—Eu2xiv100.73 (8)
Eu1i—Eu1—Ca2vi65.15 (7)Eu1xix—Eu2—Si150.56 (12)
Eu1i—Eu1—Ca2vii65.15 (7)Eu1xix—Eu2—Si1xi141.16 (16)
Eu1i—Eu1—Ca2viii65.15 (7)Eu1xix—Eu2—O2xv32.5 (3)
Eu1i—Eu1—Eu2iii115.39 (7)Eu1xix—Eu2—O3xiii116.00 (15)
Eu1i—Eu1—Eu2iv115.39 (7)Eu1xix—Eu2—O3xvi69.84 (15)
Eu1i—Eu1—Eu2v115.39 (7)Eu1xix—Eu2—O4125.87 (9)
Eu1i—Eu1—Eu2vi65.15 (7)Eu1xx—Eu2—Ca20
Eu1i—Eu1—Eu2vii65.15 (7)Eu1xx—Eu2—Ca2iv150.53 (7)
Eu1i—Eu1—Eu2viii65.15 (7)Eu1xx—Eu2—Ca2xi103.10 (5)
Eu1i—Eu1—Si1vi57.47 (11)Eu1xx—Eu2—Ca2xii103.26 (10)
Eu1i—Eu1—Si1vii57.47 (13)Eu1xx—Eu2—Ca2xiii60.59 (8)
Eu1i—Eu1—Si1viii57.47 (10)Eu1xx—Eu2—Ca2viii146.60 (9)
Eu1i—Eu1—O1136.3 (2)Eu1xx—Eu2—Ca2xiv96.58 (8)
Eu1i—Eu1—O1ix136.30 (19)Eu1xx—Eu2—Eu2iv150.53 (7)
Eu1i—Eu1—O1x136.3 (3)Eu1xx—Eu2—Eu2xi103.10 (5)
Eu1ii—Eu1—Ca2iii64.61 (7)Eu1xx—Eu2—Eu2xii103.26 (10)
Eu1ii—Eu1—Ca2iv64.61 (7)Eu1xx—Eu2—Eu2xiii60.59 (8)
Eu1ii—Eu1—Ca2v64.61 (7)Eu1xx—Eu2—Eu2viii146.60 (9)
Eu1ii—Eu1—Ca2vi114.85 (7)Eu1xx—Eu2—Eu2xiv96.58 (8)
Eu1ii—Eu1—Ca2vii114.85 (7)Eu1xx—Eu2—Si1134.45 (12)
Eu1ii—Eu1—Ca2viii114.85 (7)Eu1xx—Eu2—Si1xi57.83 (17)
Eu1ii—Eu1—Eu2iii64.61 (7)Eu1xx—Eu2—O2xv75.2 (4)
Eu1ii—Eu1—Eu2iv64.61 (7)Eu1xx—Eu2—O3xiii43.3 (3)
Eu1ii—Eu1—Eu2v64.61 (7)Eu1xx—Eu2—O3xvi94.1 (3)
Eu1ii—Eu1—Eu2vi114.85 (7)Eu1xx—Eu2—O4129.31 (6)
Eu1ii—Eu1—Eu2vii114.85 (7)Ca2—Eu2—Ca2iv0
Eu1ii—Eu1—Eu2viii114.85 (7)Ca2—Eu2—Ca2xi0
Eu1ii—Eu1—Si1vi122.53 (11)Ca2—Eu2—Ca2xii0
Eu1ii—Eu1—Si1vii122.53 (13)Ca2—Eu2—Ca2xiii0
Eu1ii—Eu1—Si1viii122.53 (10)Ca2—Eu2—Ca2viii0
Eu1ii—Eu1—O143.7 (2)Ca2—Eu2—Ca2xiv0
Eu1ii—Eu1—O1ix43.70 (19)Ca2—Eu2—Eu2iv0
Eu1ii—Eu1—O1x43.7 (3)Ca2—Eu2—Eu2xi0
Ca2iii—Eu1—Ca2iv102.95 (10)Ca2—Eu2—Eu2xii0
Ca2iii—Eu1—Ca2v102.95 (9)Ca2—Eu2—Eu2xiii0
Ca2iii—Eu1—Ca2vi96.04 (4)Ca2—Eu2—Eu2viii0
Ca2iii—Eu1—Ca2vii60.71 (4)Ca2—Eu2—Eu2xiv0
Ca2iii—Eu1—Ca2viii157.62 (5)Ca2—Eu2—Si10
Ca2iii—Eu1—Eu2iii0Ca2—Eu2—Si1xi0
Ca2iii—Eu1—Eu2iv102.95 (10)Ca2—Eu2—O2xv0
Ca2iii—Eu1—Eu2v102.95 (9)Ca2—Eu2—O3xiii0
Ca2iii—Eu1—Eu2vi96.04 (4)Ca2—Eu2—O3xvi0
Ca2iii—Eu1—Eu2vii60.71 (4)Ca2—Eu2—O40
Ca2iii—Eu1—Eu2viii157.62 (5)Ca2iv—Eu2—Ca2xi60.00 (6)
Ca2iii—Eu1—Si1vi144.17 (11)Ca2iv—Eu2—Ca2xii90.00 (7)
Ca2iii—Eu1—Si1vii60.87 (12)Ca2iv—Eu2—Ca2xiii90.00 (7)
Ca2iii—Eu1—Si1viii111.59 (18)Ca2iv—Eu2—Ca2viii61.96 (6)
Ca2iii—Eu1—O1106.9 (3)Ca2iv—Eu2—Ca2xiv61.96 (6)
Ca2iii—Eu1—O1ix62.5 (4)Ca2iv—Eu2—Eu2iv0
Ca2iii—Eu1—O1x40.7 (3)Ca2iv—Eu2—Eu2xi60.00 (6)
Ca2iv—Eu1—Ca2v102.95 (9)Ca2iv—Eu2—Eu2xii90.00 (7)
Ca2iv—Eu1—Ca2vi157.62 (7)Ca2iv—Eu2—Eu2xiii90.00 (7)
Ca2iv—Eu1—Ca2vii96.04 (5)Ca2iv—Eu2—Eu2viii61.96 (6)
Ca2iv—Eu1—Ca2viii60.71 (4)Ca2iv—Eu2—Eu2xiv61.96 (6)
Ca2iv—Eu1—Eu2iii102.95 (10)Ca2iv—Eu2—Si154.66 (15)
Ca2iv—Eu1—Eu2iv0Ca2iv—Eu2—Si1xi110.6 (2)
Ca2iv—Eu1—Eu2v102.95 (9)Ca2iv—Eu2—O2xv121.9 (4)
Ca2iv—Eu1—Eu2vi157.62 (7)Ca2iv—Eu2—O3xiii110.2 (2)
Ca2iv—Eu1—Eu2vii96.04 (5)Ca2iv—Eu2—O3xvi110.2 (2)
Ca2iv—Eu1—Eu2viii60.71 (4)Ca2iv—Eu2—O430.00 (5)
Ca2iv—Eu1—Si1vi111.59 (13)Ca2xi—Eu2—Ca2xii61.96 (4)
Ca2iv—Eu1—Si1vii144.17 (14)Ca2xi—Eu2—Ca2xiii61.96 (4)
Ca2iv—Eu1—Si1viii60.87 (6)Ca2xi—Eu2—Ca2viii90.00 (6)
Ca2iv—Eu1—O140.7 (2)Ca2xi—Eu2—Ca2xiv90.00 (6)
Ca2iv—Eu1—O1ix106.9 (3)Ca2xi—Eu2—Eu2iv60.00 (6)
Ca2iv—Eu1—O1x62.5 (3)Ca2xi—Eu2—Eu2xi0
Ca2v—Eu1—Ca2vi60.71 (3)Ca2xi—Eu2—Eu2xii61.96 (4)
Ca2v—Eu1—Ca2vii157.62 (4)Ca2xi—Eu2—Eu2xiii61.96 (4)
Ca2v—Eu1—Ca2viii96.04 (5)Ca2xi—Eu2—Eu2viii90.00 (6)
Ca2v—Eu1—Eu2iii102.95 (9)Ca2xi—Eu2—Eu2xiv90.00 (6)
Ca2v—Eu1—Eu2iv102.95 (9)Ca2xi—Eu2—Si1114.66 (16)
Ca2v—Eu1—Eu2v0Ca2xi—Eu2—Si1xi50.64 (19)
Ca2v—Eu1—Eu2vi60.71 (3)Ca2xi—Eu2—O2xv178.1 (4)
Ca2v—Eu1—Eu2vii157.62 (4)Ca2xi—Eu2—O3xiii94.20 (14)
Ca2v—Eu1—Eu2viii96.04 (5)Ca2xi—Eu2—O3xvi94.20 (14)
Ca2v—Eu1—Si1vi60.87 (7)Ca2xi—Eu2—O430.00 (4)
Ca2v—Eu1—Si1vii111.59 (11)Ca2xii—Eu2—Ca2xiii114.25 (5)
Ca2v—Eu1—Si1viii144.17 (18)Ca2xii—Eu2—Ca2viii56.08 (4)
Ca2v—Eu1—O162.5 (2)Ca2xii—Eu2—Ca2xiv148.50 (9)
Ca2v—Eu1—O1ix40.7 (4)Ca2xii—Eu2—Eu2iv90.00 (7)
Ca2v—Eu1—O1x106.9 (3)Ca2xii—Eu2—Eu2xi61.96 (4)
Ca2vi—Eu1—Ca2vii103.60 (9)Ca2xii—Eu2—Eu2xii0
Ca2vi—Eu1—Ca2viii103.60 (9)Ca2xii—Eu2—Eu2xiii114.25 (5)
Ca2vi—Eu1—Eu2iii96.04 (4)Ca2xii—Eu2—Eu2viii56.08 (4)
Ca2vi—Eu1—Eu2iv157.62 (7)Ca2xii—Eu2—Eu2xiv148.50 (9)
Ca2vi—Eu1—Eu2v60.71 (3)Ca2xii—Eu2—Si1116.28 (8)
Ca2vi—Eu1—Eu2vi0Ca2xii—Eu2—Si1xi59.47 (6)
Ca2vi—Eu1—Eu2vii103.60 (9)Ca2xii—Eu2—O2xv117.43 (14)
Ca2vi—Eu1—Eu2viii103.60 (9)Ca2xii—Eu2—O3xiii136.1 (2)
Ca2vi—Eu1—Si1vi48.22 (12)Ca2xii—Eu2—O3xvi32.37 (15)
Ca2vi—Eu1—Si1vii56.79 (14)Ca2xii—Eu2—O474.25 (5)
Ca2vi—Eu1—Si1viii122.41 (17)Ca2xiii—Eu2—Ca2viii148.50 (9)
Ca2vi—Eu1—O1122.0 (3)Ca2xiii—Eu2—Ca2xiv56.08 (4)
Ca2vi—Eu1—O1ix71.61 (16)Ca2xiii—Eu2—Eu2iv90.00 (7)
Ca2vi—Eu1—O1x134.2 (2)Ca2xiii—Eu2—Eu2xi61.96 (4)
Ca2vii—Eu1—Ca2viii103.60 (10)Ca2xiii—Eu2—Eu2xii114.25 (5)
Ca2vii—Eu1—Eu2iii60.71 (4)Ca2xiii—Eu2—Eu2xiii0
Ca2vii—Eu1—Eu2iv96.04 (5)Ca2xiii—Eu2—Eu2viii148.50 (9)
Ca2vii—Eu1—Eu2v157.62 (4)Ca2xiii—Eu2—Eu2xiv56.08 (4)
Ca2vii—Eu1—Eu2vi103.60 (9)Ca2xiii—Eu2—Si1116.28 (8)
Ca2vii—Eu1—Eu2vii0Ca2xiii—Eu2—Si1xi59.47 (6)
Ca2vii—Eu1—Eu2viii103.60 (10)Ca2xiii—Eu2—O2xv117.43 (14)
Ca2vii—Eu1—Si1vi122.41 (17)Ca2xiii—Eu2—O3xiii32.37 (15)
Ca2vii—Eu1—Si1vii48.22 (13)Ca2xiii—Eu2—O3xvi136.1 (2)
Ca2vii—Eu1—Si1viii56.79 (18)Ca2xiii—Eu2—O474.25 (5)
Ca2vii—Eu1—O1134.2 (3)Ca2viii—Eu2—Ca2xiv114.25 (8)
Ca2vii—Eu1—O1ix122.0 (4)Ca2viii—Eu2—Eu2iv61.96 (6)
Ca2vii—Eu1—O1x71.6 (3)Ca2viii—Eu2—Eu2xi90.00 (6)
Ca2viii—Eu1—Eu2iii157.62 (5)Ca2viii—Eu2—Eu2xii56.08 (4)
Ca2viii—Eu1—Eu2iv60.71 (4)Ca2viii—Eu2—Eu2xiii148.50 (9)
Ca2viii—Eu1—Eu2v96.04 (5)Ca2viii—Eu2—Eu2viii0
Ca2viii—Eu1—Eu2vi103.60 (9)Ca2viii—Eu2—Eu2xiv114.25 (8)
Ca2viii—Eu1—Eu2vii103.60 (10)Ca2viii—Eu2—Si160.44 (5)
Ca2viii—Eu1—Eu2viii0Ca2viii—Eu2—Si1xi114.82 (8)
Ca2viii—Eu1—Si1vi56.79 (12)Ca2viii—Eu2—O2xv91.0 (2)
Ca2viii—Eu1—Si1vii122.41 (18)Ca2viii—Eu2—O3xiii167.3 (2)
Ca2viii—Eu1—Si1viii48.22 (19)Ca2viii—Eu2—O3xvi53.9 (2)
Ca2viii—Eu1—O171.6 (2)Ca2viii—Eu2—O474.25 (7)
Ca2viii—Eu1—O1ix134.2 (4)Ca2xiv—Eu2—Eu2iv61.96 (6)
Ca2viii—Eu1—O1x122.0 (2)Ca2xiv—Eu2—Eu2xi90.00 (6)
Eu2iii—Eu1—Eu2iv102.95 (10)Ca2xiv—Eu2—Eu2xii148.50 (9)
Eu2iii—Eu1—Eu2v102.95 (9)Ca2xiv—Eu2—Eu2xiii56.08 (4)
Eu2iii—Eu1—Eu2vi96.04 (4)Ca2xiv—Eu2—Eu2viii114.25 (8)
Eu2iii—Eu1—Eu2vii60.71 (4)Ca2xiv—Eu2—Eu2xiv0
Eu2iii—Eu1—Eu2viii157.62 (5)Ca2xiv—Eu2—Si160.44 (5)
Eu2iii—Eu1—Si1vi144.17 (11)Ca2xiv—Eu2—Si1xi114.82 (8)
Eu2iii—Eu1—Si1vii60.87 (12)Ca2xiv—Eu2—O2xv91.0 (2)
Eu2iii—Eu1—Si1viii111.59 (18)Ca2xiv—Eu2—O3xiii53.9 (2)
Eu2iii—Eu1—O1106.9 (3)Ca2xiv—Eu2—O3xvi167.3 (2)
Eu2iii—Eu1—O1ix62.5 (4)Ca2xiv—Eu2—O474.25 (7)
Eu2iii—Eu1—O1x40.7 (3)Eu2iv—Eu2—Eu2xi60.00 (6)
Eu2iv—Eu1—Eu2v102.95 (9)Eu2iv—Eu2—Eu2xii90.00 (7)
Eu2iv—Eu1—Eu2vi157.62 (7)Eu2iv—Eu2—Eu2xiii90.00 (7)
Eu2iv—Eu1—Eu2vii96.04 (5)Eu2iv—Eu2—Eu2viii61.96 (6)
Eu2iv—Eu1—Eu2viii60.71 (4)Eu2iv—Eu2—Eu2xiv61.96 (6)
Eu2iv—Eu1—Si1vi111.59 (13)Eu2iv—Eu2—Si154.66 (15)
Eu2iv—Eu1—Si1vii144.17 (14)Eu2iv—Eu2—Si1xi110.6 (2)
Eu2iv—Eu1—Si1viii60.87 (6)Eu2iv—Eu2—O2xv121.9 (4)
Eu2iv—Eu1—O140.7 (2)Eu2iv—Eu2—O3xiii110.2 (2)
Eu2iv—Eu1—O1ix106.9 (3)Eu2iv—Eu2—O3xvi110.2 (2)
Eu2iv—Eu1—O1x62.5 (3)Eu2iv—Eu2—O430.00 (5)
Eu2v—Eu1—Eu2vi60.71 (3)Eu2xi—Eu2—Eu2xii61.96 (4)
Eu2v—Eu1—Eu2vii157.62 (4)Eu2xi—Eu2—Eu2xiii61.96 (4)
Eu2v—Eu1—Eu2viii96.04 (5)Eu2xi—Eu2—Eu2viii90.00 (6)
Eu2v—Eu1—Si1vi60.87 (7)Eu2xi—Eu2—Eu2xiv90.00 (6)
Eu2v—Eu1—Si1vii111.59 (11)Eu2xi—Eu2—Si1114.66 (16)
Eu2v—Eu1—Si1viii144.17 (18)Eu2xi—Eu2—Si1xi50.64 (19)
Eu2v—Eu1—O162.5 (2)Eu2xi—Eu2—O2xv178.1 (4)
Eu2v—Eu1—O1ix40.7 (4)Eu2xi—Eu2—O3xiii94.20 (14)
Eu2v—Eu1—O1x106.9 (3)Eu2xi—Eu2—O3xvi94.20 (14)
Eu2vi—Eu1—Eu2vii103.60 (9)Eu2xi—Eu2—O430.00 (4)
Eu2vi—Eu1—Eu2viii103.60 (9)Eu2xii—Eu2—Eu2xiii114.25 (5)
Eu2vi—Eu1—Si1vi48.22 (12)Eu2xii—Eu2—Eu2viii56.08 (4)
Eu2vi—Eu1—Si1vii56.79 (14)Eu2xii—Eu2—Eu2xiv148.50 (9)
Eu2vi—Eu1—Si1viii122.41 (17)Eu2xii—Eu2—Si1116.28 (8)
Eu2vi—Eu1—O1122.0 (3)Eu2xii—Eu2—Si1xi59.47 (6)
Eu2vi—Eu1—O1ix71.61 (16)Eu2xii—Eu2—O2xv117.43 (14)
Eu2vi—Eu1—O1x134.2 (2)Eu2xii—Eu2—O3xiii136.1 (2)
Eu2vii—Eu1—Eu2viii103.60 (10)Eu2xii—Eu2—O3xvi32.37 (15)
Eu2vii—Eu1—Si1vi122.41 (17)Eu2xii—Eu2—O474.25 (5)
Eu2vii—Eu1—Si1vii48.22 (13)Eu2xiii—Eu2—Eu2viii148.50 (9)
Eu2vii—Eu1—Si1viii56.79 (18)Eu2xiii—Eu2—Eu2xiv56.08 (4)
Eu2vii—Eu1—O1134.2 (3)Eu2xiii—Eu2—Si1116.28 (8)
Eu2vii—Eu1—O1ix122.0 (4)Eu2xiii—Eu2—Si1xi59.47 (6)
Eu2vii—Eu1—O1x71.6 (3)Eu2xiii—Eu2—O2xv117.43 (14)
Eu2viii—Eu1—Si1vi56.79 (12)Eu2xiii—Eu2—O3xiii32.37 (15)
Eu2viii—Eu1—Si1vii122.41 (18)Eu2xiii—Eu2—O3xvi136.1 (2)
Eu2viii—Eu1—Si1viii48.22 (19)Eu2xiii—Eu2—O474.25 (5)
Eu2viii—Eu1—O171.6 (2)Eu2viii—Eu2—Eu2xiv114.25 (8)
Eu2viii—Eu1—O1ix134.2 (4)Eu2viii—Eu2—Si160.44 (5)
Eu2viii—Eu1—O1x122.0 (2)Eu2viii—Eu2—Si1xi114.82 (8)
Si1vi—Eu1—Si1vii93.8 (2)Eu2viii—Eu2—O2xv91.0 (2)
Si1vi—Eu1—Si1viii93.8 (2)Eu2viii—Eu2—O3xiii167.3 (2)
Si1vi—Eu1—O193.7 (3)Eu2viii—Eu2—O3xvi53.9 (2)
Si1vi—Eu1—O1ix97.5 (3)Eu2viii—Eu2—O474.25 (7)
Si1vi—Eu1—O1x165.9 (4)Eu2xiv—Eu2—Si160.44 (5)
Si1vii—Eu1—Si1viii93.79 (18)Eu2xiv—Eu2—Si1xi114.82 (8)
Si1vii—Eu1—O1165.9 (3)Eu2xiv—Eu2—O2xv91.0 (2)
Si1vii—Eu1—O1ix93.7 (4)Eu2xiv—Eu2—O3xiii53.9 (2)
Si1vii—Eu1—O1x97.5 (3)Eu2xiv—Eu2—O3xvi167.3 (2)
Si1viii—Eu1—O197.5 (2)Eu2xiv—Eu2—O474.25 (7)
Si1viii—Eu1—O1ix165.9 (2)Si1—Eu2—Si1xi165.3 (2)
Si1viii—Eu1—O1x93.7 (3)Si1—Eu2—O2xv67.3 (4)
O1—Eu1—O1ix73.5 (4)Si1—Eu2—O3xiii107.0 (2)
O1—Eu1—O1x73.5 (4)Si1—Eu2—O3xvi107.0 (2)
O1ix—Eu1—O1x73.5 (4)Si1—Eu2—O484.66 (16)
Ca1xvii—Ca2—Ca1xviii104.79 (6)Si1xi—Eu2—O2xv127.4 (5)
Ca1xvii—Ca2—Ca1xix83.96 (5)Si1xi—Eu2—O3xiii76.77 (18)
Ca1xvii—Ca2—Ca1xx50.79 (11)Si1xi—Eu2—O3xvi76.77 (18)
Ca1xvii—Ca2—Eu1xvii0Si1xi—Eu2—O480.64 (19)
Ca1xvii—Ca2—Eu1xviii104.79 (6)O2xv—Eu2—O3xiii85.1 (2)
Ca1xvii—Ca2—Eu1xix83.96 (5)O2xv—Eu2—O3xvi85.1 (2)
Ca1xvii—Ca2—Eu1xx50.79 (11)O2xv—Eu2—O4151.9 (4)
Ca1xvii—Ca2—Ca2iv150.53 (7)O3xiii—Eu2—O3xvi137.4 (4)
Ca1xvii—Ca2—Ca2xi103.10 (5)O3xiii—Eu2—O4103.97 (19)
Ca1xvii—Ca2—Ca2xii60.59 (8)O3xvi—Eu2—O4103.97 (19)
Ca1xvii—Ca2—Ca2xiii103.26 (10)Ca1xviii—Si1—Ca1xix65.07 (19)
Ca1xvii—Ca2—Ca2viii96.58 (8)Ca1xviii—Si1—Eu1xviii0
Ca1xvii—Ca2—Ca2xiv146.60 (9)Ca1xviii—Si1—Eu1xix65.07 (19)
Ca1xvii—Ca2—Eu20Ca1xviii—Si1—Ca281.22 (19)
Ca1xvii—Ca2—Eu2iv150.53 (7)Ca1xviii—Si1—Ca2iv139.42 (14)
Ca1xvii—Ca2—Eu2xi103.10 (5)Ca1xviii—Si1—Eu281.22 (19)
Ca1xvii—Ca2—Eu2xii60.59 (8)Ca1xviii—Si1—Eu2iv139.42 (14)
Ca1xvii—Ca2—Eu2xiii103.26 (10)Ca1xviii—Si1—O1137.0 (3)
Ca1xvii—Ca2—Eu2viii96.58 (8)Ca1xviii—Si1—O247.8 (4)
Ca1xvii—Ca2—Eu2xiv146.60 (9)Ca1xviii—Si1—O3112.0 (5)
Ca1xvii—Ca2—Si1134.45 (12)Ca1xviii—Si1—O3ii61.6 (3)
Ca1xvii—Ca2—Si1xi57.83 (17)Ca1xix—Si1—Eu1xviii65.07 (19)
Ca1xvii—Ca2—O2xv75.2 (4)Ca1xix—Si1—Eu1xix0
Ca1xvii—Ca2—O3xiii94.1 (3)Ca1xix—Si1—Ca281.22 (19)
Ca1xvii—Ca2—O3xvi43.3 (3)Ca1xix—Si1—Ca2iv139.42 (14)
Ca1xvii—Ca2—O4129.31 (6)Ca1xix—Si1—Eu281.22 (19)
Ca1xviii—Ca2—Ca1xix49.70 (10)Ca1xix—Si1—Eu2iv139.42 (14)
Ca1xviii—Ca2—Ca1xx83.96 (5)Ca1xix—Si1—O1137.0 (3)
Ca1xviii—Ca2—Eu1xvii104.79 (6)Ca1xix—Si1—O247.8 (4)
Ca1xviii—Ca2—Eu1xviii0Ca1xix—Si1—O361.6 (3)
Ca1xviii—Ca2—Eu1xix49.70 (10)Ca1xix—Si1—O3ii112.0 (5)
Ca1xviii—Ca2—Eu1xx83.96 (5)Eu1xviii—Si1—Eu1xix65.07 (19)
Ca1xviii—Ca2—Ca2iv99.26 (6)Eu1xviii—Si1—Ca281.22 (19)
Ca1xviii—Ca2—Ca2xi148.63 (8)Eu1xviii—Si1—Ca2iv139.42 (14)
Ca1xviii—Ca2—Ca2xii146.90 (8)Eu1xviii—Si1—Eu281.22 (19)
Ca1xviii—Ca2—Ca2xiii97.57 (7)Eu1xviii—Si1—Eu2iv139.42 (14)
Ca1xviii—Ca2—Ca2viii100.73 (8)Eu1xviii—Si1—O1137.0 (3)
Ca1xviii—Ca2—Ca2xiv58.69 (7)Eu1xviii—Si1—O247.8 (4)
Ca1xviii—Ca2—Eu20Eu1xviii—Si1—O3112.0 (5)
Ca1xviii—Ca2—Eu2iv99.26 (6)Eu1xviii—Si1—O3ii61.6 (3)
Ca1xviii—Ca2—Eu2xi148.63 (8)Eu1xix—Si1—Ca281.22 (19)
Ca1xviii—Ca2—Eu2xii146.90 (8)Eu1xix—Si1—Ca2iv139.42 (14)
Ca1xviii—Ca2—Eu2xiii97.57 (7)Eu1xix—Si1—Eu281.22 (19)
Ca1xviii—Ca2—Eu2viii100.73 (8)Eu1xix—Si1—Eu2iv139.42 (14)
Ca1xviii—Ca2—Eu2xiv58.69 (7)Eu1xix—Si1—O1137.0 (3)
Ca1xviii—Ca2—Si150.56 (12)Eu1xix—Si1—O247.8 (4)
Ca1xviii—Ca2—Si1xi141.16 (16)Eu1xix—Si1—O361.6 (3)
Ca1xviii—Ca2—O2xv32.5 (3)Eu1xix—Si1—O3ii112.0 (5)
Ca1xviii—Ca2—O3xiii69.84 (15)Ca2—Si1—Ca2iv74.70 (13)
Ca1xviii—Ca2—O3xvi116.00 (15)Ca2—Si1—Eu20
Ca1xviii—Ca2—O4125.87 (9)Ca2—Si1—Eu2iv74.70 (13)
Ca1xix—Ca2—Ca1xx104.79 (6)Ca2—Si1—O1130.3 (4)
Ca1xix—Ca2—Eu1xvii83.96 (5)Ca2—Si1—O2116.7 (6)
Ca1xix—Ca2—Eu1xviii49.70 (10)Ca2—Si1—O352.4 (3)
Ca1xix—Ca2—Eu1xix0Ca2—Si1—O3ii52.4 (3)
Ca1xix—Ca2—Eu1xx104.79 (6)Ca2iv—Si1—Eu274.70 (13)
Ca1xix—Ca2—Ca2iv99.26 (6)Ca2iv—Si1—Eu2iv0
Ca1xix—Ca2—Ca2xi148.63 (8)Ca2iv—Si1—O155.6 (3)
Ca1xix—Ca2—Ca2xii97.57 (7)Ca2iv—Si1—O2168.6 (6)
Ca1xix—Ca2—Ca2xiii146.90 (8)Ca2iv—Si1—O377.8 (3)
Ca1xix—Ca2—Ca2viii58.69 (7)Ca2iv—Si1—O3ii77.8 (3)
Ca1xix—Ca2—Ca2xiv100.73 (8)Eu2—Si1—Eu2iv74.70 (13)
Ca1xix—Ca2—Eu20Eu2—Si1—O1130.3 (4)
Ca1xix—Ca2—Eu2iv99.26 (6)Eu2—Si1—O2116.7 (6)
Ca1xix—Ca2—Eu2xi148.63 (8)Eu2—Si1—O352.4 (3)
Ca1xix—Ca2—Eu2xii97.57 (7)Eu2—Si1—O3ii52.4 (3)
Ca1xix—Ca2—Eu2xiii146.90 (8)Eu2iv—Si1—O155.6 (3)
Ca1xix—Ca2—Eu2viii58.69 (7)Eu2iv—Si1—O2168.6 (6)
Ca1xix—Ca2—Eu2xiv100.73 (8)Eu2iv—Si1—O377.8 (3)
Ca1xix—Ca2—Si150.56 (12)Eu2iv—Si1—O3ii77.8 (3)
Ca1xix—Ca2—Si1xi141.16 (16)O1—Si1—O2113.0 (7)
Ca1xix—Ca2—O2xv32.5 (3)O1—Si1—O3110.8 (5)
Ca1xix—Ca2—O3xiii116.00 (15)O1—Si1—O3ii110.8 (5)
Ca1xix—Ca2—O3xvi69.84 (15)O2—Si1—O3108.7 (5)
Ca1xix—Ca2—O4125.87 (9)O2—Si1—O3ii108.7 (5)
Ca1xx—Ca2—Eu1xvii50.79 (11)O3—Si1—O3ii104.5 (5)
Ca1xx—Ca2—Eu1xviii83.96 (5)Ca1—O1—Ca1ii92.6 (4)
Ca1xx—Ca2—Eu1xix104.79 (6)Ca1—O1—Eu10
Ca1xx—Ca2—Eu1xx0Ca1—O1—Eu1ii92.6 (4)
Ca1xx—Ca2—Ca2iv150.53 (7)Ca1—O1—Si1128.2 (3)
Ca1xx—Ca2—Ca2xi103.10 (5)Ca1ii—O1—Eu192.6 (4)
Ca1xx—Ca2—Ca2xii103.26 (10)Ca1ii—O1—Eu1ii0
Ca1xx—Ca2—Ca2xiii60.59 (8)Ca1ii—O1—Si1128.2 (3)
Ca1xx—Ca2—Ca2viii146.60 (9)Eu1—O1—Eu1ii92.6 (4)
Ca1xx—Ca2—Ca2xiv96.58 (8)Eu1—O1—Si1128.2 (3)
Ca1xx—Ca2—Eu20Eu1ii—O1—Si1128.2 (3)
Ca1xx—Ca2—Eu2iv150.53 (7)Ca1xviii—O2—Ca1xix90.0 (5)
Ca1xx—Ca2—Eu2xi103.10 (5)Ca1xviii—O2—Ca2v115.2 (3)
Ca1xx—Ca2—Eu2xii103.26 (10)Ca1xviii—O2—Eu2v115.2 (3)
Ca1xx—Ca2—Eu2xiii60.59 (8)Ca1xviii—O2—Si1103.3 (4)
Ca1xx—Ca2—Eu2viii146.60 (9)Ca1xix—O2—Ca2v115.2 (3)
Ca1xx—Ca2—Eu2xiv96.58 (8)Ca1xix—O2—Eu2v115.2 (3)
Ca1xx—Ca2—Si1134.45 (12)Ca1xix—O2—Si1103.3 (4)
Ca1xx—Ca2—Si1xi57.83 (17)Ca2v—O2—Eu2v0
Ca1xx—Ca2—O2xv75.2 (4)Ca2v—O2—Si1124.0 (8)
Ca1xx—Ca2—O3xiii43.3 (3)Eu2v—O2—Si1124.0 (8)
Ca1xx—Ca2—O3xvi94.1 (3)Ca2viii—O3—Eu2viii0
Ca1xx—Ca2—O4129.31 (6)Ca2viii—O3—Si1141.2 (5)
Eu1xvii—Ca2—Eu1xviii104.79 (6)Eu2viii—O3—Si1141.2 (5)
Eu1xvii—Ca2—Eu1xix83.96 (5)Ca2—O4—Ca2iv120.00 (9)
Eu1xvii—Ca2—Eu1xx50.79 (11)Ca2—O4—Ca2xi120.00 (10)
Eu1xvii—Ca2—Ca2iv150.53 (7)Ca2—O4—Eu20
Eu1xvii—Ca2—Ca2xi103.10 (5)Ca2—O4—Eu2iv120.00 (9)
Eu1xvii—Ca2—Ca2xii60.59 (8)Ca2—O4—Eu2xi120.00 (10)
Eu1xvii—Ca2—Ca2xiii103.26 (10)Ca2iv—O4—Ca2xi120.00 (10)
Eu1xvii—Ca2—Ca2viii96.58 (8)Ca2iv—O4—Eu2120.00 (9)
Eu1xvii—Ca2—Ca2xiv146.60 (9)Ca2iv—O4—Eu2iv0
Eu1xvii—Ca2—Eu20Ca2iv—O4—Eu2xi120.00 (10)
Eu1xvii—Ca2—Eu2iv150.53 (7)Ca2xi—O4—Eu2120.00 (10)
Eu1xvii—Ca2—Eu2xi103.10 (5)Ca2xi—O4—Eu2iv120.00 (10)
Eu1xvii—Ca2—Eu2xii60.59 (8)Ca2xi—O4—Eu2xi0
Eu1xvii—Ca2—Eu2xiii103.26 (10)Eu2—O4—Eu2iv120.00 (9)
Eu1xvii—Ca2—Eu2viii96.58 (8)Eu2—O4—Eu2xi120.00 (10)
Eu1xvii—Ca2—Eu2xiv146.60 (9)Eu2iv—O4—Eu2xi120.00 (10)
Symmetry codes: (i) x, y, z1/2; (ii) x, y, z+1/2; (iii) x, y+1, z; (iv) y, xy, z; (v) x+y+1, x+1, z; (vi) x+1, y+1, z1/2; (vii) y, x+y+1, z1/2; (viii) xy, x, z1/2; (ix) y+1, xy+1, z; (x) x+y, x+1, z; (xi) x+y, x, z; (xii) y, x+y, z1/2; (xiii) y, x+y, z+1/2; (xiv) xy, x, z+1/2; (xv) y+1, xy, z; (xvi) y, x+y, z; (xvii) x, y1, z; (xviii) x+1, y+1, z+1/2; (xix) x+1, y+1, z; (xx) x, y1, z+1/2.
Calcium ytterbium silicate oxyapatite (Ca-Yb) top
Crystal data top
Ca2Yb8(SiO4)6O2Z = 1
Mr = 2048.7Dx = 6.785 Mg m3
Hexagonal, P63/mCu Kα radiation, λ = 1.54188 Å
a = 9.29743 (7) ÅT = 295 K
c = 6.69748 (6) Åwhite
V = 501.38 (1) Å3flat_sheet, 25 × 25 mm
Data collection top
Bruker D8 Advance
diffractometer
Data collection mode: reflection
Radiation source: sealed X-ray tubeScan method: step
Specimen mounting: packed powder pellet2θmin = 10°, 2θmax = 70°, 2θstep = 0.009°
Refinement top
Rp = 0.0536 parameters
Rwp = 0.07Weighting scheme based on measured s.u.'s
Rexp = 0.02(Δ/σ)max = 0.039
RBragg = 0.04Background function: Chebychev
6994 data pointsPreferred 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
xyzUiso*/UeqOcc. (<1)
Ca10.3333330.6666670.0006 (8)0.0127*0.448
Yb10.3333330.6666670.0006 (8)0.0127*0.552
Ca20.23445 (17)0.0010 (3)0.250.0127*0.035
Yb20.23445 (17)0.0010 (3)0.250.0127*0.965
Si10.3751 (9)0.3955 (9)0.250.0127*
O10.1336 (14)0.5361 (13)0.250.0127*
O20.8349 (13)0.5129 (13)0.250.0127*
O30.2557 (8)0.3390 (7)0.0659 (10)0.0127*
O4000.250.0127*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
???????
Geometric parameters (Å, º) top
Ca1—Ca1i3.341 (8)Yb1—Si1ix3.210 (7)
Ca1—Ca1ii3.357 (8)Yb1—Si1x3.210 (11)
Ca1—Yb10Yb1—O2vi2.326 (7)
Ca1—Yb1i3.341 (8)Yb1—O2vii2.326 (11)
Ca1—Yb1ii3.357 (8)Yb1—O2viii2.326 (11)
Ca1—Ca2iii4.006 (3)Ca2—Ca2iv3.784 (5)
Ca1—Ca2iv4.006 (3)Ca2—Ca2xi3.784 (3)
Ca1—Ca2v4.006 (4)Ca2—Ca2xii3.9982 (15)
Ca1—Ca2vi4.014 (3)Ca2—Ca2xiii3.9982 (15)
Ca1—Ca2vii4.014 (4)Ca2—Ca2viii3.998 (2)
Ca1—Ca2viii4.014 (3)Ca2—Ca2xiv3.998 (2)
Ca1—Yb2iii4.006 (3)Ca2—Yb20
Ca1—Yb2iv4.006 (3)Ca2—Yb2iv3.784 (5)
Ca1—Yb2v4.006 (4)Ca2—Yb2xi3.784 (3)
Ca1—Yb2vi4.014 (3)Ca2—Yb2xii3.9982 (15)
Ca1—Yb2vii4.014 (4)Ca2—Yb2xiii3.9982 (15)
Ca1—Yb2viii4.014 (3)Ca2—Yb2viii3.998 (2)
Ca1—Si13.210 (9)Ca2—Yb2xiv3.998 (2)
Ca1—Si1ix3.210 (7)Ca2—Si13.237 (8)
Ca1—Si1x3.210 (11)Ca2—Si1xi3.023 (7)
Ca1—O12.342 (8)Ca2—O1xi2.426 (19)
Ca1—O1ix2.342 (13)Ca2—O3xi2.403 (7)
Ca1—O1x2.342 (10)Ca2—O3xiii2.296 (7)
Ca1—O2vi2.326 (7)Ca2—O3xv2.296 (7)
Ca1—O2vii2.326 (11)Ca2—O3xvi2.403 (7)
Ca1—O2viii2.326 (11)Ca2—O42.184 (2)
Yb1—Yb1i3.341 (8)Yb2—Yb2iv3.784 (5)
Yb1—Yb1ii3.357 (8)Yb2—Yb2xi3.784 (3)
Yb1—Ca2iii4.006 (3)Yb2—Yb2xii3.9982 (15)
Yb1—Ca2iv4.006 (3)Yb2—Yb2xiii3.9982 (15)
Yb1—Ca2v4.006 (4)Yb2—Yb2viii3.998 (2)
Yb1—Ca2vi4.014 (3)Yb2—Yb2xiv3.998 (2)
Yb1—Ca2vii4.014 (4)Yb2—Si13.237 (8)
Yb1—Ca2viii4.014 (3)Yb2—Si1xi3.023 (7)
Yb1—Yb2iii4.006 (3)Yb2—O3xiii2.296 (7)
Yb1—Yb2iv4.006 (3)Yb2—O3xv2.296 (7)
Yb1—Yb2v4.006 (4)Yb2—O42.184 (2)
Yb1—Yb2vi4.014 (3)Si1—O1ix1.630 (18)
Yb1—Yb2vii4.014 (4)Si1—O2xvii1.50 (2)
Yb1—Yb2viii4.014 (3)Si1—O31.564 (8)
Yb1—Si13.210 (9)Si1—O3ii1.564 (8)
Ca1i—Ca1—Ca1ii180Yb1xviii—Ca2—O3xvi72.6 (2)
Ca1i—Ca1—Yb10Yb1xviii—Ca2—O4128.14 (6)
Ca1i—Ca1—Yb1i0Yb1xix—Ca2—Yb1xx49.19 (10)
Ca1i—Ca1—Yb1ii180Yb1xix—Ca2—Yb1xxi84.03 (5)
Ca1i—Ca1—Ca2iii114.77 (7)Yb1xix—Ca2—Ca2iv101.13 (6)
Ca1i—Ca1—Ca2iv114.77 (7)Yb1xix—Ca2—Ca2xi150.00 (8)
Ca1i—Ca1—Ca2v114.77 (7)Yb1xix—Ca2—Ca2xii146.51 (8)
Ca1i—Ca1—Ca2vi65.41 (7)Yb1xix—Ca2—Ca2xiii97.87 (7)
Ca1i—Ca1—Ca2vii65.41 (7)Yb1xix—Ca2—Ca2viii101.37 (8)
Ca1i—Ca1—Ca2viii65.41 (7)Yb1xix—Ca2—Ca2xiv60.00 (7)
Ca1i—Ca1—Yb2iii114.77 (7)Yb1xix—Ca2—Yb20
Ca1i—Ca1—Yb2iv114.77 (7)Yb1xix—Ca2—Yb2iv101.13 (6)
Ca1i—Ca1—Yb2v114.77 (7)Yb1xix—Ca2—Yb2xi150.00 (8)
Ca1i—Ca1—Yb2vi65.41 (7)Yb1xix—Ca2—Yb2xii146.51 (8)
Ca1i—Ca1—Yb2vii65.41 (7)Yb1xix—Ca2—Yb2xiii97.87 (7)
Ca1i—Ca1—Yb2viii65.41 (7)Yb1xix—Ca2—Yb2viii101.37 (8)
Ca1i—Ca1—Si1121.53 (12)Yb1xix—Ca2—Yb2xiv60.00 (7)
Ca1i—Ca1—Si1ix121.53 (11)Yb1xix—Ca2—Si155.95 (14)
Ca1i—Ca1—Si1x121.53 (14)Yb1xix—Ca2—Si1xi136.0 (2)
Ca1i—Ca1—O1135.8 (2)Yb1xix—Ca2—O1xi75.2 (2)
Ca1i—Ca1—O1ix135.8 (3)Yb1xix—Ca2—O3xi147.4 (3)
Ca1i—Ca1—O1x135.8 (2)Yb1xix—Ca2—O3xiii42.54 (16)
Ca1i—Ca1—O2vi44.11 (18)Yb1xix—Ca2—O3xv91.72 (16)
Ca1i—Ca1—O2vii44.1 (3)Yb1xix—Ca2—O3xvi114.5 (2)
Ca1i—Ca1—O2viii44.1 (3)Yb1xix—Ca2—O4127.70 (9)
Ca1ii—Ca1—Yb10Yb1xx—Ca2—Yb1xxi104.16 (6)
Ca1ii—Ca1—Yb1i180Yb1xx—Ca2—Ca2iv101.13 (6)
Ca1ii—Ca1—Yb1ii0Yb1xx—Ca2—Ca2xi150.00 (8)
Ca1ii—Ca1—Ca2iii65.23 (7)Yb1xx—Ca2—Ca2xii97.87 (7)
Ca1ii—Ca1—Ca2iv65.23 (7)Yb1xx—Ca2—Ca2xiii146.51 (8)
Ca1ii—Ca1—Ca2v65.23 (7)Yb1xx—Ca2—Ca2viii60.00 (7)
Ca1ii—Ca1—Ca2vi114.59 (7)Yb1xx—Ca2—Ca2xiv101.37 (8)
Ca1ii—Ca1—Ca2vii114.59 (7)Yb1xx—Ca2—Yb20
Ca1ii—Ca1—Ca2viii114.59 (7)Yb1xx—Ca2—Yb2iv101.13 (6)
Ca1ii—Ca1—Yb2iii65.23 (7)Yb1xx—Ca2—Yb2xi150.00 (8)
Ca1ii—Ca1—Yb2iv65.23 (7)Yb1xx—Ca2—Yb2xii97.87 (7)
Ca1ii—Ca1—Yb2v65.23 (7)Yb1xx—Ca2—Yb2xiii146.51 (8)
Ca1ii—Ca1—Yb2vi114.59 (7)Yb1xx—Ca2—Yb2viii60.00 (7)
Ca1ii—Ca1—Yb2vii114.59 (7)Yb1xx—Ca2—Yb2xiv101.37 (8)
Ca1ii—Ca1—Yb2viii114.59 (7)Yb1xx—Ca2—Si155.95 (14)
Ca1ii—Ca1—Si158.47 (12)Yb1xx—Ca2—Si1xi136.0 (2)
Ca1ii—Ca1—Si1ix58.47 (11)Yb1xx—Ca2—O1xi75.2 (2)
Ca1ii—Ca1—Si1x58.47 (14)Yb1xx—Ca2—O3xi114.5 (2)
Ca1ii—Ca1—O144.2 (2)Yb1xx—Ca2—O3xiii91.72 (16)
Ca1ii—Ca1—O1ix44.2 (3)Yb1xx—Ca2—O3xv42.54 (16)
Ca1ii—Ca1—O1x44.2 (2)Yb1xx—Ca2—O3xvi147.4 (3)
Ca1ii—Ca1—O2vi135.89 (18)Yb1xx—Ca2—O4127.70 (9)
Ca1ii—Ca1—O2vii135.9 (3)Yb1xxi—Ca2—Ca2iv150.19 (6)
Ca1ii—Ca1—O2viii135.9 (3)Yb1xxi—Ca2—Ca2xi101.65 (6)
Yb1—Ca1—Yb1i0Yb1xxi—Ca2—Ca2xii101.81 (10)
Yb1—Ca1—Yb1ii0Yb1xxi—Ca2—Ca2xiii60.19 (8)
Yb1—Ca1—Ca2iii0Yb1xxi—Ca2—Ca2viii146.57 (9)
Yb1—Ca1—Ca2iv0Yb1xxi—Ca2—Ca2xiv97.63 (8)
Yb1—Ca1—Ca2v0Yb1xxi—Ca2—Yb20
Yb1—Ca1—Ca2vi0Yb1xxi—Ca2—Yb2iv150.19 (6)
Yb1—Ca1—Ca2vii0Yb1xxi—Ca2—Yb2xi101.65 (6)
Yb1—Ca1—Ca2viii0Yb1xxi—Ca2—Yb2xii101.81 (10)
Yb1—Ca1—Yb2iii0Yb1xxi—Ca2—Yb2xiii60.19 (8)
Yb1—Ca1—Yb2iv0Yb1xxi—Ca2—Yb2viii146.57 (9)
Yb1—Ca1—Yb2v0Yb1xxi—Ca2—Yb2xiv97.63 (8)
Yb1—Ca1—Yb2vi0Yb1xxi—Ca2—Si1139.51 (13)
Yb1—Ca1—Yb2vii0Yb1xxi—Ca2—Si1xi52.1 (2)
Yb1—Ca1—Yb2viii0Yb1xxi—Ca2—O1xi32.19 (17)
Yb1—Ca1—Si10Yb1xxi—Ca2—O3xi72.6 (2)
Yb1—Ca1—Si1ix0Yb1xxi—Ca2—O3xiii69.9 (3)
Yb1—Ca1—Si1x0Yb1xxi—Ca2—O3xv115.3 (3)
Yb1—Ca1—O10Yb1xxi—Ca2—O3xvi43.3 (3)
Yb1—Ca1—O1ix0Yb1xxi—Ca2—O4128.14 (6)
Yb1—Ca1—O1x0Ca2iv—Ca2—Ca2xi60.00 (6)
Yb1—Ca1—O2vi0Ca2iv—Ca2—Ca2xii90.00 (7)
Yb1—Ca1—O2vii0Ca2iv—Ca2—Ca2xiii90.00 (7)
Yb1—Ca1—O2viii0Ca2iv—Ca2—Ca2viii61.76 (6)
Yb1i—Ca1—Yb1ii180Ca2iv—Ca2—Ca2xiv61.76 (6)
Yb1i—Ca1—Ca2iii114.77 (7)Ca2iv—Ca2—Yb20
Yb1i—Ca1—Ca2iv114.77 (7)Ca2iv—Ca2—Yb2iv0
Yb1i—Ca1—Ca2v114.77 (7)Ca2iv—Ca2—Yb2xi60.00 (6)
Yb1i—Ca1—Ca2vi65.41 (7)Ca2iv—Ca2—Yb2xii90.00 (7)
Yb1i—Ca1—Ca2vii65.41 (7)Ca2iv—Ca2—Yb2xiii90.00 (7)
Yb1i—Ca1—Ca2viii65.41 (7)Ca2iv—Ca2—Yb2viii61.76 (6)
Yb1i—Ca1—Yb2iii114.77 (7)Ca2iv—Ca2—Yb2xiv61.76 (6)
Yb1i—Ca1—Yb2iv114.77 (7)Ca2iv—Ca2—Si150.27 (16)
Yb1i—Ca1—Yb2v114.77 (7)Ca2iv—Ca2—Si1xi115.4 (2)
Yb1i—Ca1—Yb2vi65.41 (7)Ca2iv—Ca2—O1xi175.9 (3)
Yb1i—Ca1—Yb2vii65.41 (7)Ca2iv—Ca2—O3xi110.5 (3)
Yb1i—Ca1—Yb2viii65.41 (7)Ca2iv—Ca2—O3xiii94.0 (3)
Yb1i—Ca1—Si1121.53 (12)Ca2iv—Ca2—O3xv94.0 (3)
Yb1i—Ca1—Si1ix121.53 (11)Ca2iv—Ca2—O3xvi110.5 (3)
Yb1i—Ca1—Si1x121.53 (14)Ca2iv—Ca2—O430.00 (5)
Yb1i—Ca1—O1135.8 (2)Ca2xi—Ca2—Ca2xii61.76 (4)
Yb1i—Ca1—O1ix135.8 (3)Ca2xi—Ca2—Ca2xiii61.76 (4)
Yb1i—Ca1—O1x135.8 (2)Ca2xi—Ca2—Ca2viii90.00 (6)
Yb1i—Ca1—O2vi44.11 (18)Ca2xi—Ca2—Ca2xiv90.00 (6)
Yb1i—Ca1—O2vii44.1 (3)Ca2xi—Ca2—Yb20
Yb1i—Ca1—O2viii44.1 (3)Ca2xi—Ca2—Yb2iv60.00 (6)
Yb1ii—Ca1—Ca2iii65.23 (7)Ca2xi—Ca2—Yb2xi0
Yb1ii—Ca1—Ca2iv65.23 (7)Ca2xi—Ca2—Yb2xii61.76 (4)
Yb1ii—Ca1—Ca2v65.23 (7)Ca2xi—Ca2—Yb2xiii61.76 (4)
Yb1ii—Ca1—Ca2vi114.59 (7)Ca2xi—Ca2—Yb2viii90.00 (6)
Yb1ii—Ca1—Ca2vii114.59 (7)Ca2xi—Ca2—Yb2xiv90.00 (6)
Yb1ii—Ca1—Ca2viii114.59 (7)Ca2xi—Ca2—Si1110.27 (17)
Yb1ii—Ca1—Yb2iii65.23 (7)Ca2xi—Ca2—Si1xi55.4 (2)
Yb1ii—Ca1—Yb2iv65.23 (7)Ca2xi—Ca2—O1xi124.1 (3)
Yb1ii—Ca1—Yb2v65.23 (7)Ca2xi—Ca2—O3xi59.7 (2)
Yb1ii—Ca1—Yb2vi114.59 (7)Ca2xi—Ca2—O3xiii111.47 (15)
Yb1ii—Ca1—Yb2vii114.59 (7)Ca2xi—Ca2—O3xv111.47 (15)
Yb1ii—Ca1—Yb2viii114.59 (7)Ca2xi—Ca2—O3xvi59.7 (2)
Yb1ii—Ca1—Si158.47 (12)Ca2xi—Ca2—O430.00 (4)
Yb1ii—Ca1—Si1ix58.47 (11)Ca2xii—Ca2—Ca2xiii113.77 (5)
Yb1ii—Ca1—Si1x58.47 (14)Ca2xii—Ca2—Ca2viii56.48 (4)
Yb1ii—Ca1—O144.2 (2)Ca2xii—Ca2—Ca2xiv148.29 (9)
Yb1ii—Ca1—O1ix44.2 (3)Ca2xii—Ca2—Yb20
Yb1ii—Ca1—O1x44.2 (2)Ca2xii—Ca2—Yb2iv90.00 (7)
Yb1ii—Ca1—O2vi135.89 (18)Ca2xii—Ca2—Yb2xi61.76 (4)
Yb1ii—Ca1—O2vii135.9 (3)Ca2xii—Ca2—Yb2xii0
Yb1ii—Ca1—O2viii135.9 (3)Ca2xii—Ca2—Yb2xiii113.77 (5)
Ca2iii—Ca1—Ca2iv103.69 (10)Ca2xii—Ca2—Yb2viii56.48 (4)
Ca2iii—Ca1—Ca2v103.69 (9)Ca2xii—Ca2—Yb2xiv148.29 (9)
Ca2iii—Ca1—Ca2vi95.97 (4)Ca2xii—Ca2—Si1114.84 (9)
Ca2iii—Ca1—Ca2vii59.81 (4)Ca2xii—Ca2—Si1xi60.44 (8)
Ca2iii—Ca1—Ca2viii157.21 (5)Ca2xii—Ca2—O1xi92.24 (16)
Ca2iii—Ca1—Yb2iii0Ca2xii—Ca2—O3xi30.91 (19)
Ca2iii—Ca1—Yb2iv103.69 (10)Ca2xii—Ca2—O3xiii168.7 (2)
Ca2iii—Ca1—Yb2v103.69 (9)Ca2xii—Ca2—O3xv55.76 (15)
Ca2iii—Ca1—Yb2vi95.97 (4)Ca2xii—Ca2—O3xvi90.09 (17)
Ca2iii—Ca1—Yb2vii59.81 (4)Ca2xii—Ca2—O474.15 (5)
Ca2iii—Ca1—Yb2viii157.21 (5)Ca2xiii—Ca2—Ca2viii148.29 (9)
Ca2iii—Ca1—Si1123.45 (18)Ca2xiii—Ca2—Ca2xiv56.48 (4)
Ca2iii—Ca1—Si1ix57.4 (2)Ca2xiii—Ca2—Yb20
Ca2iii—Ca1—Si1x47.98 (14)Ca2xiii—Ca2—Yb2iv90.00 (7)
Ca2iii—Ca1—O170.8 (3)Ca2xiii—Ca2—Yb2xi61.76 (4)
Ca2iii—Ca1—O1ix105.2 (4)Ca2xiii—Ca2—Yb2xii113.77 (5)
Ca2iii—Ca1—O1x33.5 (4)Ca2xiii—Ca2—Yb2xiii0
Ca2iii—Ca1—O2vi121.5 (4)Ca2xiii—Ca2—Yb2viii148.29 (9)
Ca2iii—Ca1—O2vii134.6 (4)Ca2xiii—Ca2—Yb2xiv56.48 (4)
Ca2iii—Ca1—O2viii71.2 (3)Ca2xiii—Ca2—Si1114.84 (9)
Ca2iv—Ca1—Ca2v103.69 (9)Ca2xiii—Ca2—Si1xi60.44 (8)
Ca2iv—Ca1—Ca2vi157.21 (7)Ca2xiii—Ca2—O1xi92.24 (16)
Ca2iv—Ca1—Ca2vii95.97 (5)Ca2xiii—Ca2—O3xi90.09 (17)
Ca2iv—Ca1—Ca2viii59.81 (4)Ca2xiii—Ca2—O3xiii55.76 (15)
Ca2iv—Ca1—Yb2iii103.69 (10)Ca2xiii—Ca2—O3xv168.7 (2)
Ca2iv—Ca1—Yb2iv0Ca2xiii—Ca2—O3xvi30.91 (19)
Ca2iv—Ca1—Yb2v103.69 (9)Ca2xiii—Ca2—O474.15 (5)
Ca2iv—Ca1—Yb2vi157.21 (7)Ca2viii—Ca2—Ca2xiv113.77 (8)
Ca2iv—Ca1—Yb2vii95.97 (5)Ca2viii—Ca2—Yb20
Ca2iv—Ca1—Yb2viii59.81 (4)Ca2viii—Ca2—Yb2iv61.76 (6)
Ca2iv—Ca1—Si147.98 (14)Ca2viii—Ca2—Yb2xi90.00 (6)
Ca2iv—Ca1—Si1ix123.45 (17)Ca2viii—Ca2—Yb2xii56.48 (4)
Ca2iv—Ca1—Si1x57.38 (16)Ca2viii—Ca2—Yb2xiii148.29 (9)
Ca2iv—Ca1—O133.5 (3)Ca2viii—Ca2—Yb2viii0
Ca2iv—Ca1—O1ix70.8 (3)Ca2viii—Ca2—Yb2xiv113.77 (8)
Ca2iv—Ca1—O1x105.2 (3)Ca2viii—Ca2—Si159.17 (5)
Ca2iv—Ca1—O2vi71.17 (17)Ca2viii—Ca2—Si1xi116.74 (9)
Ca2iv—Ca1—O2vii121.5 (4)Ca2viii—Ca2—O1xi116.90 (10)
Ca2iv—Ca1—O2viii134.6 (3)Ca2viii—Ca2—O3xi87.13 (18)
Ca2v—Ca1—Ca2vi59.81 (3)Ca2viii—Ca2—O3xiii134.4 (2)
Ca2v—Ca1—Ca2vii157.21 (4)Ca2viii—Ca2—O3xv32.5 (3)
Ca2v—Ca1—Ca2viii95.97 (5)Ca2viii—Ca2—O3xvi144.04 (19)
Ca2v—Ca1—Yb2iii103.69 (9)Ca2viii—Ca2—O474.15 (7)
Ca2v—Ca1—Yb2iv103.69 (9)Ca2xiv—Ca2—Yb20
Ca2v—Ca1—Yb2v0Ca2xiv—Ca2—Yb2iv61.76 (6)
Ca2v—Ca1—Yb2vi59.81 (3)Ca2xiv—Ca2—Yb2xi90.00 (6)
Ca2v—Ca1—Yb2vii157.21 (4)Ca2xiv—Ca2—Yb2xii148.29 (9)
Ca2v—Ca1—Yb2viii95.97 (5)Ca2xiv—Ca2—Yb2xiii56.48 (4)
Ca2v—Ca1—Si157.38 (12)Ca2xiv—Ca2—Yb2viii113.77 (8)
Ca2v—Ca1—Si1ix48.0 (2)Ca2xiv—Ca2—Yb2xiv0
Ca2v—Ca1—Si1x123.45 (19)Ca2xiv—Ca2—Si159.17 (5)
Ca2v—Ca1—O1105.2 (3)Ca2xiv—Ca2—Si1xi116.74 (9)
Ca2v—Ca1—O1ix33.5 (2)Ca2xiv—Ca2—O1xi116.90 (10)
Ca2v—Ca1—O1x70.8 (5)Ca2xiv—Ca2—O3xi144.04 (19)
Ca2v—Ca1—O2vi134.6 (4)Ca2xiv—Ca2—O3xiii32.5 (3)
Ca2v—Ca1—O2vii71.2 (2)Ca2xiv—Ca2—O3xv134.4 (2)
Ca2v—Ca1—O2viii121.5 (3)Ca2xiv—Ca2—O3xvi87.13 (18)
Ca2vi—Ca1—Ca2vii103.90 (9)Ca2xiv—Ca2—O474.15 (7)
Ca2vi—Ca1—Ca2viii103.90 (9)Yb2—Ca2—Yb2iv0
Ca2vi—Ca1—Yb2iii95.97 (4)Yb2—Ca2—Yb2xi0
Ca2vi—Ca1—Yb2iv157.21 (7)Yb2—Ca2—Yb2xii0
Ca2vi—Ca1—Yb2v59.81 (3)Yb2—Ca2—Yb2xiii0
Ca2vi—Ca1—Yb2vi0Yb2—Ca2—Yb2viii0
Ca2vi—Ca1—Yb2vii103.90 (9)Yb2—Ca2—Yb2xiv0
Ca2vi—Ca1—Yb2viii103.90 (9)Yb2—Ca2—Si10
Ca2vi—Ca1—Si1111.00 (13)Yb2—Ca2—Si1xi0
Ca2vi—Ca1—Si1ix59.15 (8)Yb2—Ca2—O1xi0
Ca2vi—Ca1—Si1x143.83 (15)Yb2—Ca2—O3xi0
Ca2vi—Ca1—O1158.0 (2)Yb2—Ca2—O3xiii0
Ca2vi—Ca1—O1ix93.2 (2)Yb2—Ca2—O3xv0
Ca2vi—Ca1—O1x85.0 (3)Yb2—Ca2—O3xvi0
Ca2vi—Ca1—O2vi108.1 (2)Yb2—Ca2—O40
Ca2vi—Ca1—O2vii41.3 (3)Yb2iv—Ca2—Yb2xi60.00 (6)
Ca2vi—Ca1—O2viii62.9 (4)Yb2iv—Ca2—Yb2xii90.00 (7)
Ca2vii—Ca1—Ca2viii103.90 (10)Yb2iv—Ca2—Yb2xiii90.00 (7)
Ca2vii—Ca1—Yb2iii59.81 (4)Yb2iv—Ca2—Yb2viii61.76 (6)
Ca2vii—Ca1—Yb2iv95.97 (5)Yb2iv—Ca2—Yb2xiv61.76 (6)
Ca2vii—Ca1—Yb2v157.21 (4)Yb2iv—Ca2—Si150.27 (16)
Ca2vii—Ca1—Yb2vi103.90 (9)Yb2iv—Ca2—Si1xi115.4 (2)
Ca2vii—Ca1—Yb2vii0Yb2iv—Ca2—O1xi175.9 (3)
Ca2vii—Ca1—Yb2viii103.90 (10)Yb2iv—Ca2—O3xi110.5 (3)
Ca2vii—Ca1—Si1143.83 (13)Yb2iv—Ca2—O3xiii94.0 (3)
Ca2vii—Ca1—Si1ix111.0 (2)Yb2iv—Ca2—O3xv94.0 (3)
Ca2vii—Ca1—Si1x59.15 (14)Yb2iv—Ca2—O3xvi110.5 (3)
Ca2vii—Ca1—O185.0 (3)Yb2iv—Ca2—O430.00 (5)
Ca2vii—Ca1—O1ix158.0 (3)Yb2xi—Ca2—Yb2xii61.76 (4)
Ca2vii—Ca1—O1x93.2 (4)Yb2xi—Ca2—Yb2xiii61.76 (4)
Ca2vii—Ca1—O2vi62.9 (4)Yb2xi—Ca2—Yb2viii90.00 (6)
Ca2vii—Ca1—O2vii108.1 (3)Yb2xi—Ca2—Yb2xiv90.00 (6)
Ca2vii—Ca1—O2viii41.3 (4)Yb2xi—Ca2—Si1110.27 (17)
Ca2viii—Ca1—Yb2iii157.21 (5)Yb2xi—Ca2—Si1xi55.4 (2)
Ca2viii—Ca1—Yb2iv59.81 (4)Yb2xi—Ca2—O1xi124.1 (3)
Ca2viii—Ca1—Yb2v95.97 (5)Yb2xi—Ca2—O3xi59.7 (2)
Ca2viii—Ca1—Yb2vi103.90 (9)Yb2xi—Ca2—O3xiii111.47 (15)
Ca2viii—Ca1—Yb2vii103.90 (10)Yb2xi—Ca2—O3xv111.47 (15)
Ca2viii—Ca1—Yb2viii0Yb2xi—Ca2—O3xvi59.7 (2)
Ca2viii—Ca1—Si159.15 (8)Yb2xi—Ca2—O430.00 (4)
Ca2viii—Ca1—Si1ix143.8 (2)Yb2xii—Ca2—Yb2xiii113.77 (5)
Ca2viii—Ca1—Si1x111.00 (13)Yb2xii—Ca2—Yb2viii56.48 (4)
Ca2viii—Ca1—O193.2 (3)Yb2xii—Ca2—Yb2xiv148.29 (9)
Ca2viii—Ca1—O1ix85.0 (4)Yb2xii—Ca2—Si1114.84 (9)
Ca2viii—Ca1—O1x158.0 (3)Yb2xii—Ca2—Si1xi60.44 (8)
Ca2viii—Ca1—O2vi41.3 (4)Yb2xii—Ca2—O1xi92.24 (16)
Ca2viii—Ca1—O2vii62.9 (4)Yb2xii—Ca2—O3xi30.91 (19)
Ca2viii—Ca1—O2viii108.1 (3)Yb2xii—Ca2—O3xiii168.7 (2)
Yb2iii—Ca1—Yb2iv103.69 (10)Yb2xii—Ca2—O3xv55.76 (15)
Yb2iii—Ca1—Yb2v103.69 (9)Yb2xii—Ca2—O3xvi90.09 (17)
Yb2iii—Ca1—Yb2vi95.97 (4)Yb2xii—Ca2—O474.15 (5)
Yb2iii—Ca1—Yb2vii59.81 (4)Yb2xiii—Ca2—Yb2viii148.29 (9)
Yb2iii—Ca1—Yb2viii157.21 (5)Yb2xiii—Ca2—Yb2xiv56.48 (4)
Yb2iii—Ca1—Si1123.45 (18)Yb2xiii—Ca2—Si1114.84 (9)
Yb2iii—Ca1—Si1ix57.4 (2)Yb2xiii—Ca2—Si1xi60.44 (8)
Yb2iii—Ca1—Si1x47.98 (14)Yb2xiii—Ca2—O1xi92.24 (16)
Yb2iii—Ca1—O170.8 (3)Yb2xiii—Ca2—O3xi90.09 (17)
Yb2iii—Ca1—O1ix105.2 (4)Yb2xiii—Ca2—O3xiii55.76 (15)
Yb2iii—Ca1—O1x33.5 (4)Yb2xiii—Ca2—O3xv168.7 (2)
Yb2iii—Ca1—O2vi121.5 (4)Yb2xiii—Ca2—O3xvi30.91 (19)
Yb2iii—Ca1—O2vii134.6 (4)Yb2xiii—Ca2—O474.15 (5)
Yb2iii—Ca1—O2viii71.2 (3)Yb2viii—Ca2—Yb2xiv113.77 (8)
Yb2iv—Ca1—Yb2v103.69 (9)Yb2viii—Ca2—Si159.17 (5)
Yb2iv—Ca1—Yb2vi157.21 (7)Yb2viii—Ca2—Si1xi116.74 (9)
Yb2iv—Ca1—Yb2vii95.97 (5)Yb2viii—Ca2—O1xi116.90 (10)
Yb2iv—Ca1—Yb2viii59.81 (4)Yb2viii—Ca2—O3xi87.13 (18)
Yb2iv—Ca1—Si147.98 (14)Yb2viii—Ca2—O3xiii134.4 (2)
Yb2iv—Ca1—Si1ix123.45 (17)Yb2viii—Ca2—O3xv32.5 (3)
Yb2iv—Ca1—Si1x57.38 (16)Yb2viii—Ca2—O3xvi144.04 (19)
Yb2iv—Ca1—O133.5 (3)Yb2viii—Ca2—O474.15 (7)
Yb2iv—Ca1—O1ix70.8 (3)Yb2xiv—Ca2—Si159.17 (5)
Yb2iv—Ca1—O1x105.2 (3)Yb2xiv—Ca2—Si1xi116.74 (9)
Yb2iv—Ca1—O2vi71.17 (17)Yb2xiv—Ca2—O1xi116.90 (10)
Yb2iv—Ca1—O2vii121.5 (4)Yb2xiv—Ca2—O3xi144.04 (19)
Yb2iv—Ca1—O2viii134.6 (3)Yb2xiv—Ca2—O3xiii32.5 (3)
Yb2v—Ca1—Yb2vi59.81 (3)Yb2xiv—Ca2—O3xv134.4 (2)
Yb2v—Ca1—Yb2vii157.21 (4)Yb2xiv—Ca2—O3xvi87.13 (18)
Yb2v—Ca1—Yb2viii95.97 (5)Yb2xiv—Ca2—O474.15 (7)
Yb2v—Ca1—Si157.38 (12)Si1—Ca2—Si1xi165.7 (3)
Yb2v—Ca1—Si1ix48.0 (2)Si1—Ca2—O1xi125.6 (3)
Yb2v—Ca1—Si1x123.45 (19)Si1—Ca2—O3xi145.7 (2)
Yb2v—Ca1—O1105.2 (3)Si1—Ca2—O3xiii75.5 (2)
Yb2v—Ca1—O1ix33.5 (2)Si1—Ca2—O3xv75.5 (2)
Yb2v—Ca1—O1x70.8 (5)Si1—Ca2—O3xvi145.7 (2)
Yb2v—Ca1—O2vi134.6 (4)Si1—Ca2—O480.27 (18)
Yb2v—Ca1—O2vii71.2 (2)Si1xi—Ca2—O1xi68.7 (4)
Yb2v—Ca1—O2viii121.5 (3)Si1xi—Ca2—O3xi30.90 (16)
Yb2vi—Ca1—Yb2vii103.90 (9)Si1xi—Ca2—O3xiii108.4 (2)
Yb2vi—Ca1—Yb2viii103.90 (9)Si1xi—Ca2—O3xv108.4 (2)
Yb2vi—Ca1—Si1111.00 (13)Si1xi—Ca2—O3xvi30.90 (16)
Yb2vi—Ca1—Si1ix59.15 (8)Si1xi—Ca2—O485.4 (2)
Yb2vi—Ca1—Si1x143.83 (15)O1xi—Ca2—O3xi73.0 (3)
Yb2vi—Ca1—O1158.0 (2)O1xi—Ca2—O3xiii84.4 (3)
Yb2vi—Ca1—O1ix93.2 (2)O1xi—Ca2—O3xv84.4 (3)
Yb2vi—Ca1—O1x85.0 (3)O1xi—Ca2—O3xvi73.0 (3)
Yb2vi—Ca1—O2vi108.1 (2)O1xi—Ca2—O4154.1 (3)
Yb2vi—Ca1—O2vii41.3 (3)O3xi—Ca2—O3xiii138.4 (3)
Yb2vi—Ca1—O2viii62.9 (4)O3xi—Ca2—O3xv78.6 (2)
Yb2vii—Ca1—Yb2viii103.90 (10)O3xi—Ca2—O3xvi61.7 (2)
Yb2vii—Ca1—Si1143.83 (13)O3xi—Ca2—O484.9 (3)
Yb2vii—Ca1—Si1ix111.0 (2)O3xiii—Ca2—O3xv134.2 (2)
Yb2vii—Ca1—Si1x59.15 (14)O3xiii—Ca2—O3xvi78.6 (2)
Yb2vii—Ca1—O185.0 (3)O3xiii—Ca2—O4104.6 (2)
Yb2vii—Ca1—O1ix158.0 (3)O3xv—Ca2—O3xvi138.4 (3)
Yb2vii—Ca1—O1x93.2 (4)O3xv—Ca2—O4104.6 (2)
Yb2vii—Ca1—O2vi62.9 (4)O3xvi—Ca2—O484.9 (3)
Yb2vii—Ca1—O2vii108.1 (3)Ca1xviii—Yb2—Ca1xix104.16 (6)
Yb2vii—Ca1—O2viii41.3 (4)Ca1xviii—Yb2—Ca1xx84.03 (5)
Yb2viii—Ca1—Si159.15 (8)Ca1xviii—Yb2—Ca1xxi49.54 (10)
Yb2viii—Ca1—Si1ix143.8 (2)Ca1xviii—Yb2—Yb1xviii0
Yb2viii—Ca1—Si1x111.00 (13)Ca1xviii—Yb2—Yb1xix104.16 (6)
Yb2viii—Ca1—O193.2 (3)Ca1xviii—Yb2—Yb1xx84.03 (5)
Yb2viii—Ca1—O1ix85.0 (4)Ca1xviii—Yb2—Yb1xxi49.54 (10)
Yb2viii—Ca1—O1x158.0 (3)Ca1xviii—Yb2—Ca20
Yb2viii—Ca1—O2vi41.3 (4)Ca1xviii—Yb2—Ca2iv150.19 (6)
Yb2viii—Ca1—O2vii62.9 (4)Ca1xviii—Yb2—Ca2xi101.65 (6)
Yb2viii—Ca1—O2viii108.1 (3)Ca1xviii—Yb2—Ca2xii60.19 (8)
Si1—Ca1—Si1ix95.2 (2)Ca1xviii—Yb2—Ca2xiii101.81 (10)
Si1—Ca1—Si1x95.2 (2)Ca1xviii—Yb2—Ca2viii97.63 (8)
Si1—Ca1—O166.1 (4)Ca1xviii—Yb2—Ca2xiv146.57 (9)
Si1—Ca1—O1ix29.2 (4)Ca1xviii—Yb2—Yb2iv150.19 (6)
Si1—Ca1—O1x98.9 (4)Ca1xviii—Yb2—Yb2xi101.65 (6)
Si1—Ca1—O2vi96.5 (3)Ca1xviii—Yb2—Yb2xii60.19 (8)
Si1—Ca1—O2vii92.6 (4)Ca1xviii—Yb2—Yb2xiii101.81 (10)
Si1—Ca1—O2viii165.3 (4)Ca1xviii—Yb2—Yb2viii97.63 (8)
Si1ix—Ca1—Si1x95.2 (2)Ca1xviii—Yb2—Yb2xiv146.57 (9)
Si1ix—Ca1—O198.9 (2)Ca1xviii—Yb2—Si1139.51 (13)
Si1ix—Ca1—O1ix66.1 (4)Ca1xviii—Yb2—Si1xi52.1 (2)
Si1ix—Ca1—O1x29.2 (4)Ca1xviii—Yb2—O3xiii115.3 (3)
Si1ix—Ca1—O2vi165.3 (3)Ca1xviii—Yb2—O3xv69.9 (3)
Si1ix—Ca1—O2vii96.5 (3)Ca1xviii—Yb2—O4128.14 (6)
Si1ix—Ca1—O2viii92.6 (3)Ca1xix—Yb2—Ca1xx49.19 (10)
Si1x—Ca1—O129.2 (4)Ca1xix—Yb2—Ca1xxi84.03 (5)
Si1x—Ca1—O1ix98.9 (3)Ca1xix—Yb2—Yb1xviii104.16 (6)
Si1x—Ca1—O1x66.1 (4)Ca1xix—Yb2—Yb1xix0
Si1x—Ca1—O2vi92.6 (3)Ca1xix—Yb2—Yb1xx49.19 (10)
Si1x—Ca1—O2vii165.3 (3)Ca1xix—Yb2—Yb1xxi84.03 (5)
Si1x—Ca1—O2viii96.5 (4)Ca1xix—Yb2—Ca20
O1—Ca1—O1ix74.3 (4)Ca1xix—Yb2—Ca2iv101.13 (6)
O1—Ca1—O1x74.3 (4)Ca1xix—Yb2—Ca2xi150.00 (8)
O1—Ca1—O2vi93.9 (2)Ca1xix—Yb2—Ca2xii146.51 (8)
O1—Ca1—O2vii154.6 (5)Ca1xix—Yb2—Ca2xiii97.87 (7)
O1—Ca1—O2viii124.9 (5)Ca1xix—Yb2—Ca2viii101.37 (8)
O1ix—Ca1—O1x74.3 (6)Ca1xix—Yb2—Ca2xiv60.00 (7)
O1ix—Ca1—O2vi124.9 (5)Ca1xix—Yb2—Yb2iv101.13 (6)
O1ix—Ca1—O2vii93.9 (4)Ca1xix—Yb2—Yb2xi150.00 (8)
O1ix—Ca1—O2viii154.6 (4)Ca1xix—Yb2—Yb2xii146.51 (8)
O1x—Ca1—O2vi154.6 (6)Ca1xix—Yb2—Yb2xiii97.87 (7)
O1x—Ca1—O2vii124.9 (4)Ca1xix—Yb2—Yb2viii101.37 (8)
O1x—Ca1—O2viii93.9 (4)Ca1xix—Yb2—Yb2xiv60.00 (7)
O2vi—Ca1—O2vii74.1 (4)Ca1xix—Yb2—Si155.95 (14)
O2vi—Ca1—O2viii74.1 (4)Ca1xix—Yb2—Si1xi136.0 (2)
O2vii—Ca1—O2viii74.1 (6)Ca1xix—Yb2—O3xiii42.54 (16)
Ca1—Yb1—Ca1i0Ca1xix—Yb2—O3xv91.72 (16)
Ca1—Yb1—Ca1ii0Ca1xix—Yb2—O4127.70 (9)
Ca1—Yb1—Yb1i0Ca1xx—Yb2—Ca1xxi104.16 (6)
Ca1—Yb1—Yb1ii0Ca1xx—Yb2—Yb1xviii84.03 (5)
Ca1—Yb1—Ca2iii0Ca1xx—Yb2—Yb1xix49.19 (10)
Ca1—Yb1—Ca2iv0Ca1xx—Yb2—Yb1xx0
Ca1—Yb1—Ca2v0Ca1xx—Yb2—Yb1xxi104.16 (6)
Ca1—Yb1—Ca2vi0Ca1xx—Yb2—Ca20
Ca1—Yb1—Ca2vii0Ca1xx—Yb2—Ca2iv101.13 (6)
Ca1—Yb1—Ca2viii0Ca1xx—Yb2—Ca2xi150.00 (8)
Ca1—Yb1—Yb2iii0Ca1xx—Yb2—Ca2xii97.87 (7)
Ca1—Yb1—Yb2iv0Ca1xx—Yb2—Ca2xiii146.51 (8)
Ca1—Yb1—Yb2v0Ca1xx—Yb2—Ca2viii60.00 (7)
Ca1—Yb1—Yb2vi0Ca1xx—Yb2—Ca2xiv101.37 (8)
Ca1—Yb1—Yb2vii0Ca1xx—Yb2—Yb2iv101.13 (6)
Ca1—Yb1—Yb2viii0Ca1xx—Yb2—Yb2xi150.00 (8)
Ca1—Yb1—Si10Ca1xx—Yb2—Yb2xii97.87 (7)
Ca1—Yb1—Si1ix0Ca1xx—Yb2—Yb2xiii146.51 (8)
Ca1—Yb1—Si1x0Ca1xx—Yb2—Yb2viii60.00 (7)
Ca1—Yb1—O2vi0Ca1xx—Yb2—Yb2xiv101.37 (8)
Ca1—Yb1—O2vii0Ca1xx—Yb2—Si155.95 (14)
Ca1—Yb1—O2viii0Ca1xx—Yb2—Si1xi136.0 (2)
Ca1i—Yb1—Ca1ii180Ca1xx—Yb2—O3xiii91.72 (16)
Ca1i—Yb1—Yb1i0Ca1xx—Yb2—O3xv42.54 (16)
Ca1i—Yb1—Yb1ii180Ca1xx—Yb2—O4127.70 (9)
Ca1i—Yb1—Ca2iii114.77 (7)Ca1xxi—Yb2—Yb1xviii49.54 (10)
Ca1i—Yb1—Ca2iv114.77 (7)Ca1xxi—Yb2—Yb1xix84.03 (5)
Ca1i—Yb1—Ca2v114.77 (7)Ca1xxi—Yb2—Yb1xx104.16 (6)
Ca1i—Yb1—Ca2vi65.41 (7)Ca1xxi—Yb2—Yb1xxi0
Ca1i—Yb1—Ca2vii65.41 (7)Ca1xxi—Yb2—Ca20
Ca1i—Yb1—Ca2viii65.41 (7)Ca1xxi—Yb2—Ca2iv150.19 (6)
Ca1i—Yb1—Yb2iii114.77 (7)Ca1xxi—Yb2—Ca2xi101.65 (6)
Ca1i—Yb1—Yb2iv114.77 (7)Ca1xxi—Yb2—Ca2xii101.81 (10)
Ca1i—Yb1—Yb2v114.77 (7)Ca1xxi—Yb2—Ca2xiii60.19 (8)
Ca1i—Yb1—Yb2vi65.41 (7)Ca1xxi—Yb2—Ca2viii146.57 (9)
Ca1i—Yb1—Yb2vii65.41 (7)Ca1xxi—Yb2—Ca2xiv97.63 (8)
Ca1i—Yb1—Yb2viii65.41 (7)Ca1xxi—Yb2—Yb2iv150.19 (6)
Ca1i—Yb1—Si1121.53 (12)Ca1xxi—Yb2—Yb2xi101.65 (6)
Ca1i—Yb1—Si1ix121.53 (11)Ca1xxi—Yb2—Yb2xii101.81 (10)
Ca1i—Yb1—Si1x121.53 (14)Ca1xxi—Yb2—Yb2xiii60.19 (8)
Ca1i—Yb1—O2vi44.11 (18)Ca1xxi—Yb2—Yb2viii146.57 (9)
Ca1i—Yb1—O2vii44.1 (3)Ca1xxi—Yb2—Yb2xiv97.63 (8)
Ca1i—Yb1—O2viii44.1 (3)Ca1xxi—Yb2—Si1139.51 (13)
Ca1ii—Yb1—Yb1i180Ca1xxi—Yb2—Si1xi52.1 (2)
Ca1ii—Yb1—Yb1ii0Ca1xxi—Yb2—O3xiii69.9 (3)
Ca1ii—Yb1—Ca2iii65.23 (7)Ca1xxi—Yb2—O3xv115.3 (3)
Ca1ii—Yb1—Ca2iv65.23 (7)Ca1xxi—Yb2—O4128.14 (6)
Ca1ii—Yb1—Ca2v65.23 (7)Yb1xviii—Yb2—Yb1xix104.16 (6)
Ca1ii—Yb1—Ca2vi114.59 (7)Yb1xviii—Yb2—Yb1xx84.03 (5)
Ca1ii—Yb1—Ca2vii114.59 (7)Yb1xviii—Yb2—Yb1xxi49.54 (10)
Ca1ii—Yb1—Ca2viii114.59 (7)Yb1xviii—Yb2—Ca20
Ca1ii—Yb1—Yb2iii65.23 (7)Yb1xviii—Yb2—Ca2iv150.19 (6)
Ca1ii—Yb1—Yb2iv65.23 (7)Yb1xviii—Yb2—Ca2xi101.65 (6)
Ca1ii—Yb1—Yb2v65.23 (7)Yb1xviii—Yb2—Ca2xii60.19 (8)
Ca1ii—Yb1—Yb2vi114.59 (7)Yb1xviii—Yb2—Ca2xiii101.81 (10)
Ca1ii—Yb1—Yb2vii114.59 (7)Yb1xviii—Yb2—Ca2viii97.63 (8)
Ca1ii—Yb1—Yb2viii114.59 (7)Yb1xviii—Yb2—Ca2xiv146.57 (9)
Ca1ii—Yb1—Si158.47 (12)Yb1xviii—Yb2—Yb2iv150.19 (6)
Ca1ii—Yb1—Si1ix58.47 (11)Yb1xviii—Yb2—Yb2xi101.65 (6)
Ca1ii—Yb1—Si1x58.47 (14)Yb1xviii—Yb2—Yb2xii60.19 (8)
Ca1ii—Yb1—O2vi135.89 (18)Yb1xviii—Yb2—Yb2xiii101.81 (10)
Ca1ii—Yb1—O2vii135.9 (3)Yb1xviii—Yb2—Yb2viii97.63 (8)
Ca1ii—Yb1—O2viii135.9 (3)Yb1xviii—Yb2—Yb2xiv146.57 (9)
Yb1i—Yb1—Yb1ii180Yb1xviii—Yb2—Si1139.51 (13)
Yb1i—Yb1—Ca2iii114.77 (7)Yb1xviii—Yb2—Si1xi52.1 (2)
Yb1i—Yb1—Ca2iv114.77 (7)Yb1xviii—Yb2—O3xiii115.3 (3)
Yb1i—Yb1—Ca2v114.77 (7)Yb1xviii—Yb2—O3xv69.9 (3)
Yb1i—Yb1—Ca2vi65.41 (7)Yb1xviii—Yb2—O4128.14 (6)
Yb1i—Yb1—Ca2vii65.41 (7)Yb1xix—Yb2—Yb1xx49.19 (10)
Yb1i—Yb1—Ca2viii65.41 (7)Yb1xix—Yb2—Yb1xxi84.03 (5)
Yb1i—Yb1—Yb2iii114.77 (7)Yb1xix—Yb2—Ca20
Yb1i—Yb1—Yb2iv114.77 (7)Yb1xix—Yb2—Ca2iv101.13 (6)
Yb1i—Yb1—Yb2v114.77 (7)Yb1xix—Yb2—Ca2xi150.00 (8)
Yb1i—Yb1—Yb2vi65.41 (7)Yb1xix—Yb2—Ca2xii146.51 (8)
Yb1i—Yb1—Yb2vii65.41 (7)Yb1xix—Yb2—Ca2xiii97.87 (7)
Yb1i—Yb1—Yb2viii65.41 (7)Yb1xix—Yb2—Ca2viii101.37 (8)
Yb1i—Yb1—Si1121.53 (12)Yb1xix—Yb2—Ca2xiv60.00 (7)
Yb1i—Yb1—Si1ix121.53 (11)Yb1xix—Yb2—Yb2iv101.13 (6)
Yb1i—Yb1—Si1x121.53 (14)Yb1xix—Yb2—Yb2xi150.00 (8)
Yb1i—Yb1—O2vi44.11 (18)Yb1xix—Yb2—Yb2xii146.51 (8)
Yb1i—Yb1—O2vii44.1 (3)Yb1xix—Yb2—Yb2xiii97.87 (7)
Yb1i—Yb1—O2viii44.1 (3)Yb1xix—Yb2—Yb2viii101.37 (8)
Yb1ii—Yb1—Ca2iii65.23 (7)Yb1xix—Yb2—Yb2xiv60.00 (7)
Yb1ii—Yb1—Ca2iv65.23 (7)Yb1xix—Yb2—Si155.95 (14)
Yb1ii—Yb1—Ca2v65.23 (7)Yb1xix—Yb2—Si1xi136.0 (2)
Yb1ii—Yb1—Ca2vi114.59 (7)Yb1xix—Yb2—O3xiii42.54 (16)
Yb1ii—Yb1—Ca2vii114.59 (7)Yb1xix—Yb2—O3xv91.72 (16)
Yb1ii—Yb1—Ca2viii114.59 (7)Yb1xix—Yb2—O4127.70 (9)
Yb1ii—Yb1—Yb2iii65.23 (7)Yb1xx—Yb2—Yb1xxi104.16 (6)
Yb1ii—Yb1—Yb2iv65.23 (7)Yb1xx—Yb2—Ca20
Yb1ii—Yb1—Yb2v65.23 (7)Yb1xx—Yb2—Ca2iv101.13 (6)
Yb1ii—Yb1—Yb2vi114.59 (7)Yb1xx—Yb2—Ca2xi150.00 (8)
Yb1ii—Yb1—Yb2vii114.59 (7)Yb1xx—Yb2—Ca2xii97.87 (7)
Yb1ii—Yb1—Yb2viii114.59 (7)Yb1xx—Yb2—Ca2xiii146.51 (8)
Yb1ii—Yb1—Si158.47 (12)Yb1xx—Yb2—Ca2viii60.00 (7)
Yb1ii—Yb1—Si1ix58.47 (11)Yb1xx—Yb2—Ca2xiv101.37 (8)
Yb1ii—Yb1—Si1x58.47 (14)Yb1xx—Yb2—Yb2iv101.13 (6)
Yb1ii—Yb1—O2vi135.89 (18)Yb1xx—Yb2—Yb2xi150.00 (8)
Yb1ii—Yb1—O2vii135.9 (3)Yb1xx—Yb2—Yb2xii97.87 (7)
Yb1ii—Yb1—O2viii135.9 (3)Yb1xx—Yb2—Yb2xiii146.51 (8)
Ca2iii—Yb1—Ca2iv103.69 (10)Yb1xx—Yb2—Yb2viii60.00 (7)
Ca2iii—Yb1—Ca2v103.69 (9)Yb1xx—Yb2—Yb2xiv101.37 (8)
Ca2iii—Yb1—Ca2vi95.97 (4)Yb1xx—Yb2—Si155.95 (14)
Ca2iii—Yb1—Ca2vii59.81 (4)Yb1xx—Yb2—Si1xi136.0 (2)
Ca2iii—Yb1—Ca2viii157.21 (5)Yb1xx—Yb2—O3xiii91.72 (16)
Ca2iii—Yb1—Yb2iii0Yb1xx—Yb2—O3xv42.54 (16)
Ca2iii—Yb1—Yb2iv103.69 (10)Yb1xx—Yb2—O4127.70 (9)
Ca2iii—Yb1—Yb2v103.69 (9)Yb1xxi—Yb2—Ca20
Ca2iii—Yb1—Yb2vi95.97 (4)Yb1xxi—Yb2—Ca2iv150.19 (6)
Ca2iii—Yb1—Yb2vii59.81 (4)Yb1xxi—Yb2—Ca2xi101.65 (6)
Ca2iii—Yb1—Yb2viii157.21 (5)Yb1xxi—Yb2—Ca2xii101.81 (10)
Ca2iii—Yb1—Si1123.45 (18)Yb1xxi—Yb2—Ca2xiii60.19 (8)
Ca2iii—Yb1—Si1ix57.4 (2)Yb1xxi—Yb2—Ca2viii146.57 (9)
Ca2iii—Yb1—Si1x47.98 (14)Yb1xxi—Yb2—Ca2xiv97.63 (8)
Ca2iii—Yb1—O2vi121.5 (4)Yb1xxi—Yb2—Yb2iv150.19 (6)
Ca2iii—Yb1—O2vii134.6 (4)Yb1xxi—Yb2—Yb2xi101.65 (6)
Ca2iii—Yb1—O2viii71.2 (3)Yb1xxi—Yb2—Yb2xii101.81 (10)
Ca2iv—Yb1—Ca2v103.69 (9)Yb1xxi—Yb2—Yb2xiii60.19 (8)
Ca2iv—Yb1—Ca2vi157.21 (7)Yb1xxi—Yb2—Yb2viii146.57 (9)
Ca2iv—Yb1—Ca2vii95.97 (5)Yb1xxi—Yb2—Yb2xiv97.63 (8)
Ca2iv—Yb1—Ca2viii59.81 (4)Yb1xxi—Yb2—Si1139.51 (13)
Ca2iv—Yb1—Yb2iii103.69 (10)Yb1xxi—Yb2—Si1xi52.1 (2)
Ca2iv—Yb1—Yb2iv0Yb1xxi—Yb2—O3xiii69.9 (3)
Ca2iv—Yb1—Yb2v103.69 (9)Yb1xxi—Yb2—O3xv115.3 (3)
Ca2iv—Yb1—Yb2vi157.21 (7)Yb1xxi—Yb2—O4128.14 (6)
Ca2iv—Yb1—Yb2vii95.97 (5)Ca2—Yb2—Ca2iv0
Ca2iv—Yb1—Yb2viii59.81 (4)Ca2—Yb2—Ca2xi0
Ca2iv—Yb1—Si147.98 (14)Ca2—Yb2—Ca2xii0
Ca2iv—Yb1—Si1ix123.45 (17)Ca2—Yb2—Ca2xiii0
Ca2iv—Yb1—Si1x57.38 (16)Ca2—Yb2—Ca2viii0
Ca2iv—Yb1—O2vi71.17 (17)Ca2—Yb2—Ca2xiv0
Ca2iv—Yb1—O2vii121.5 (4)Ca2—Yb2—Yb2iv0
Ca2iv—Yb1—O2viii134.6 (3)Ca2—Yb2—Yb2xi0
Ca2v—Yb1—Ca2vi59.81 (3)Ca2—Yb2—Yb2xii0
Ca2v—Yb1—Ca2vii157.21 (4)Ca2—Yb2—Yb2xiii0
Ca2v—Yb1—Ca2viii95.97 (5)Ca2—Yb2—Yb2viii0
Ca2v—Yb1—Yb2iii103.69 (9)Ca2—Yb2—Yb2xiv0
Ca2v—Yb1—Yb2iv103.69 (9)Ca2—Yb2—Si10
Ca2v—Yb1—Yb2v0Ca2—Yb2—Si1xi0
Ca2v—Yb1—Yb2vi59.81 (3)Ca2—Yb2—O3xiii0
Ca2v—Yb1—Yb2vii157.21 (4)Ca2—Yb2—O3xv0
Ca2v—Yb1—Yb2viii95.97 (5)Ca2—Yb2—O40
Ca2v—Yb1—Si157.38 (12)Ca2iv—Yb2—Ca2xi60.00 (6)
Ca2v—Yb1—Si1ix48.0 (2)Ca2iv—Yb2—Ca2xii90.00 (7)
Ca2v—Yb1—Si1x123.45 (19)Ca2iv—Yb2—Ca2xiii90.00 (7)
Ca2v—Yb1—O2vi134.6 (4)Ca2iv—Yb2—Ca2viii61.76 (6)
Ca2v—Yb1—O2vii71.2 (2)Ca2iv—Yb2—Ca2xiv61.76 (6)
Ca2v—Yb1—O2viii121.5 (3)Ca2iv—Yb2—Yb2iv0
Ca2vi—Yb1—Ca2vii103.90 (9)Ca2iv—Yb2—Yb2xi60.00 (6)
Ca2vi—Yb1—Ca2viii103.90 (9)Ca2iv—Yb2—Yb2xii90.00 (7)
Ca2vi—Yb1—Yb2iii95.97 (4)Ca2iv—Yb2—Yb2xiii90.00 (7)
Ca2vi—Yb1—Yb2iv157.21 (7)Ca2iv—Yb2—Yb2viii61.76 (6)
Ca2vi—Yb1—Yb2v59.81 (3)Ca2iv—Yb2—Yb2xiv61.76 (6)
Ca2vi—Yb1—Yb2vi0Ca2iv—Yb2—Si150.27 (16)
Ca2vi—Yb1—Yb2vii103.90 (9)Ca2iv—Yb2—Si1xi115.4 (2)
Ca2vi—Yb1—Yb2viii103.90 (9)Ca2iv—Yb2—O3xiii94.0 (3)
Ca2vi—Yb1—Si1111.00 (13)Ca2iv—Yb2—O3xv94.0 (3)
Ca2vi—Yb1—Si1ix59.15 (8)Ca2iv—Yb2—O430.00 (5)
Ca2vi—Yb1—Si1x143.83 (15)Ca2xi—Yb2—Ca2xii61.76 (4)
Ca2vi—Yb1—O2vi108.1 (2)Ca2xi—Yb2—Ca2xiii61.76 (4)
Ca2vi—Yb1—O2vii41.3 (3)Ca2xi—Yb2—Ca2viii90.00 (6)
Ca2vi—Yb1—O2viii62.9 (4)Ca2xi—Yb2—Ca2xiv90.00 (6)
Ca2vii—Yb1—Ca2viii103.90 (10)Ca2xi—Yb2—Yb2iv60.00 (6)
Ca2vii—Yb1—Yb2iii59.81 (4)Ca2xi—Yb2—Yb2xi0
Ca2vii—Yb1—Yb2iv95.97 (5)Ca2xi—Yb2—Yb2xii61.76 (4)
Ca2vii—Yb1—Yb2v157.21 (4)Ca2xi—Yb2—Yb2xiii61.76 (4)
Ca2vii—Yb1—Yb2vi103.90 (9)Ca2xi—Yb2—Yb2viii90.00 (6)
Ca2vii—Yb1—Yb2vii0Ca2xi—Yb2—Yb2xiv90.00 (6)
Ca2vii—Yb1—Yb2viii103.90 (10)Ca2xi—Yb2—Si1110.27 (17)
Ca2vii—Yb1—Si1143.83 (13)Ca2xi—Yb2—Si1xi55.4 (2)
Ca2vii—Yb1—Si1ix111.0 (2)Ca2xi—Yb2—O3xiii111.47 (15)
Ca2vii—Yb1—Si1x59.15 (14)Ca2xi—Yb2—O3xv111.47 (15)
Ca2vii—Yb1—O2vi62.9 (4)Ca2xi—Yb2—O430.00 (4)
Ca2vii—Yb1—O2vii108.1 (3)Ca2xii—Yb2—Ca2xiii113.77 (5)
Ca2vii—Yb1—O2viii41.3 (4)Ca2xii—Yb2—Ca2viii56.48 (4)
Ca2viii—Yb1—Yb2iii157.21 (5)Ca2xii—Yb2—Ca2xiv148.29 (9)
Ca2viii—Yb1—Yb2iv59.81 (4)Ca2xii—Yb2—Yb2iv90.00 (7)
Ca2viii—Yb1—Yb2v95.97 (5)Ca2xii—Yb2—Yb2xi61.76 (4)
Ca2viii—Yb1—Yb2vi103.90 (9)Ca2xii—Yb2—Yb2xii0
Ca2viii—Yb1—Yb2vii103.90 (10)Ca2xii—Yb2—Yb2xiii113.77 (5)
Ca2viii—Yb1—Yb2viii0Ca2xii—Yb2—Yb2viii56.48 (4)
Ca2viii—Yb1—Si159.15 (8)Ca2xii—Yb2—Yb2xiv148.29 (9)
Ca2viii—Yb1—Si1ix143.8 (2)Ca2xii—Yb2—Si1114.84 (9)
Ca2viii—Yb1—Si1x111.00 (13)Ca2xii—Yb2—Si1xi60.44 (8)
Ca2viii—Yb1—O2vi41.3 (4)Ca2xii—Yb2—O3xiii168.7 (2)
Ca2viii—Yb1—O2vii62.9 (4)Ca2xii—Yb2—O3xv55.76 (15)
Ca2viii—Yb1—O2viii108.1 (3)Ca2xii—Yb2—O474.15 (5)
Yb2iii—Yb1—Yb2iv103.69 (10)Ca2xiii—Yb2—Ca2viii148.29 (9)
Yb2iii—Yb1—Yb2v103.69 (9)Ca2xiii—Yb2—Ca2xiv56.48 (4)
Yb2iii—Yb1—Yb2vi95.97 (4)Ca2xiii—Yb2—Yb2iv90.00 (7)
Yb2iii—Yb1—Yb2vii59.81 (4)Ca2xiii—Yb2—Yb2xi61.76 (4)
Yb2iii—Yb1—Yb2viii157.21 (5)Ca2xiii—Yb2—Yb2xii113.77 (5)
Yb2iii—Yb1—Si1123.45 (18)Ca2xiii—Yb2—Yb2xiii0
Yb2iii—Yb1—Si1ix57.4 (2)Ca2xiii—Yb2—Yb2viii148.29 (9)
Yb2iii—Yb1—Si1x47.98 (14)Ca2xiii—Yb2—Yb2xiv56.48 (4)
Yb2iii—Yb1—O2vi121.5 (4)Ca2xiii—Yb2—Si1114.84 (9)
Yb2iii—Yb1—O2vii134.6 (4)Ca2xiii—Yb2—Si1xi60.44 (8)
Yb2iii—Yb1—O2viii71.2 (3)Ca2xiii—Yb2—O3xiii55.76 (15)
Yb2iv—Yb1—Yb2v103.69 (9)Ca2xiii—Yb2—O3xv168.7 (2)
Yb2iv—Yb1—Yb2vi157.21 (7)Ca2xiii—Yb2—O474.15 (5)
Yb2iv—Yb1—Yb2vii95.97 (5)Ca2viii—Yb2—Ca2xiv113.77 (8)
Yb2iv—Yb1—Yb2viii59.81 (4)Ca2viii—Yb2—Yb2iv61.76 (6)
Yb2iv—Yb1—Si147.98 (14)Ca2viii—Yb2—Yb2xi90.00 (6)
Yb2iv—Yb1—Si1ix123.45 (17)Ca2viii—Yb2—Yb2xii56.48 (4)
Yb2iv—Yb1—Si1x57.38 (16)Ca2viii—Yb2—Yb2xiii148.29 (9)
Yb2iv—Yb1—O2vi71.17 (17)Ca2viii—Yb2—Yb2viii0
Yb2iv—Yb1—O2vii121.5 (4)Ca2viii—Yb2—Yb2xiv113.77 (8)
Yb2iv—Yb1—O2viii134.6 (3)Ca2viii—Yb2—Si159.17 (5)
Yb2v—Yb1—Yb2vi59.81 (3)Ca2viii—Yb2—Si1xi116.74 (9)
Yb2v—Yb1—Yb2vii157.21 (4)Ca2viii—Yb2—O3xiii134.4 (2)
Yb2v—Yb1—Yb2viii95.97 (5)Ca2viii—Yb2—O3xv32.5 (3)
Yb2v—Yb1—Si157.38 (12)Ca2viii—Yb2—O474.15 (7)
Yb2v—Yb1—Si1ix48.0 (2)Ca2xiv—Yb2—Yb2iv61.76 (6)
Yb2v—Yb1—Si1x123.45 (19)Ca2xiv—Yb2—Yb2xi90.00 (6)
Yb2v—Yb1—O2vi134.6 (4)Ca2xiv—Yb2—Yb2xii148.29 (9)
Yb2v—Yb1—O2vii71.2 (2)Ca2xiv—Yb2—Yb2xiii56.48 (4)
Yb2v—Yb1—O2viii121.5 (3)Ca2xiv—Yb2—Yb2viii113.77 (8)
Yb2vi—Yb1—Yb2vii103.90 (9)Ca2xiv—Yb2—Yb2xiv0
Yb2vi—Yb1—Yb2viii103.90 (9)Ca2xiv—Yb2—Si159.17 (5)
Yb2vi—Yb1—Si1111.00 (13)Ca2xiv—Yb2—Si1xi116.74 (9)
Yb2vi—Yb1—Si1ix59.15 (8)Ca2xiv—Yb2—O3xiii32.5 (3)
Yb2vi—Yb1—Si1x143.83 (15)Ca2xiv—Yb2—O3xv134.4 (2)
Yb2vi—Yb1—O2vi108.1 (2)Ca2xiv—Yb2—O474.15 (7)
Yb2vi—Yb1—O2vii41.3 (3)Yb2iv—Yb2—Yb2xi60.00 (6)
Yb2vi—Yb1—O2viii62.9 (4)Yb2iv—Yb2—Yb2xii90.00 (7)
Yb2vii—Yb1—Yb2viii103.90 (10)Yb2iv—Yb2—Yb2xiii90.00 (7)
Yb2vii—Yb1—Si1143.83 (13)Yb2iv—Yb2—Yb2viii61.76 (6)
Yb2vii—Yb1—Si1ix111.0 (2)Yb2iv—Yb2—Yb2xiv61.76 (6)
Yb2vii—Yb1—Si1x59.15 (14)Yb2iv—Yb2—Si150.27 (16)
Yb2vii—Yb1—O2vi62.9 (4)Yb2iv—Yb2—Si1xi115.4 (2)
Yb2vii—Yb1—O2vii108.1 (3)Yb2iv—Yb2—O3xiii94.0 (3)
Yb2vii—Yb1—O2viii41.3 (4)Yb2iv—Yb2—O3xv94.0 (3)
Yb2viii—Yb1—Si159.15 (8)Yb2iv—Yb2—O430.00 (5)
Yb2viii—Yb1—Si1ix143.8 (2)Yb2xi—Yb2—Yb2xii61.76 (4)
Yb2viii—Yb1—Si1x111.00 (13)Yb2xi—Yb2—Yb2xiii61.76 (4)
Yb2viii—Yb1—O2vi41.3 (4)Yb2xi—Yb2—Yb2viii90.00 (6)
Yb2viii—Yb1—O2vii62.9 (4)Yb2xi—Yb2—Yb2xiv90.00 (6)
Yb2viii—Yb1—O2viii108.1 (3)Yb2xi—Yb2—Si1110.27 (17)
Si1—Yb1—Si1ix95.2 (2)Yb2xi—Yb2—Si1xi55.4 (2)
Si1—Yb1—Si1x95.2 (2)Yb2xi—Yb2—O3xiii111.47 (15)
Si1—Yb1—O2vi96.5 (3)Yb2xi—Yb2—O3xv111.47 (15)
Si1—Yb1—O2vii92.6 (4)Yb2xi—Yb2—O430.00 (4)
Si1—Yb1—O2viii165.3 (4)Yb2xii—Yb2—Yb2xiii113.77 (5)
Si1ix—Yb1—Si1x95.2 (2)Yb2xii—Yb2—Yb2viii56.48 (4)
Si1ix—Yb1—O2vi165.3 (3)Yb2xii—Yb2—Yb2xiv148.29 (9)
Si1ix—Yb1—O2vii96.5 (3)Yb2xii—Yb2—Si1114.84 (9)
Si1ix—Yb1—O2viii92.6 (3)Yb2xii—Yb2—Si1xi60.44 (8)
Si1x—Yb1—O2vi92.6 (3)Yb2xii—Yb2—O3xiii168.7 (2)
Si1x—Yb1—O2vii165.3 (3)Yb2xii—Yb2—O3xv55.76 (15)
Si1x—Yb1—O2viii96.5 (4)Yb2xii—Yb2—O474.15 (5)
O2vi—Yb1—O2vii74.1 (4)Yb2xiii—Yb2—Yb2viii148.29 (9)
O2vi—Yb1—O2viii74.1 (4)Yb2xiii—Yb2—Yb2xiv56.48 (4)
O2vii—Yb1—O2viii74.1 (6)Yb2xiii—Yb2—Si1114.84 (9)
Ca1xviii—Ca2—Ca1xix104.16 (6)Yb2xiii—Yb2—Si1xi60.44 (8)
Ca1xviii—Ca2—Ca1xx84.03 (5)Yb2xiii—Yb2—O3xiii55.76 (15)
Ca1xviii—Ca2—Ca1xxi49.54 (10)Yb2xiii—Yb2—O3xv168.7 (2)
Ca1xviii—Ca2—Yb1xviii0Yb2xiii—Yb2—O474.15 (5)
Ca1xviii—Ca2—Yb1xix104.16 (6)Yb2viii—Yb2—Yb2xiv113.77 (8)
Ca1xviii—Ca2—Yb1xx84.03 (5)Yb2viii—Yb2—Si159.17 (5)
Ca1xviii—Ca2—Yb1xxi49.54 (10)Yb2viii—Yb2—Si1xi116.74 (9)
Ca1xviii—Ca2—Ca2iv150.19 (6)Yb2viii—Yb2—O3xiii134.4 (2)
Ca1xviii—Ca2—Ca2xi101.65 (6)Yb2viii—Yb2—O3xv32.5 (3)
Ca1xviii—Ca2—Ca2xii60.19 (8)Yb2viii—Yb2—O474.15 (7)
Ca1xviii—Ca2—Ca2xiii101.81 (10)Yb2xiv—Yb2—Si159.17 (5)
Ca1xviii—Ca2—Ca2viii97.63 (8)Yb2xiv—Yb2—Si1xi116.74 (9)
Ca1xviii—Ca2—Ca2xiv146.57 (9)Yb2xiv—Yb2—O3xiii32.5 (3)
Ca1xviii—Ca2—Yb20Yb2xiv—Yb2—O3xv134.4 (2)
Ca1xviii—Ca2—Yb2iv150.19 (6)Yb2xiv—Yb2—O474.15 (7)
Ca1xviii—Ca2—Yb2xi101.65 (6)Si1—Yb2—Si1xi165.7 (3)
Ca1xviii—Ca2—Yb2xii60.19 (8)Si1—Yb2—O3xiii75.5 (2)
Ca1xviii—Ca2—Yb2xiii101.81 (10)Si1—Yb2—O3xv75.5 (2)
Ca1xviii—Ca2—Yb2viii97.63 (8)Si1—Yb2—O480.27 (18)
Ca1xviii—Ca2—Yb2xiv146.57 (9)Si1xi—Yb2—O3xiii108.4 (2)
Ca1xviii—Ca2—Si1139.51 (13)Si1xi—Yb2—O3xv108.4 (2)
Ca1xviii—Ca2—Si1xi52.1 (2)Si1xi—Yb2—O485.4 (2)
Ca1xviii—Ca2—O1xi32.19 (17)O3xiii—Yb2—O3xv134.2 (2)
Ca1xviii—Ca2—O3xi43.3 (3)O3xiii—Yb2—O4104.6 (2)
Ca1xviii—Ca2—O3xiii115.3 (3)O3xv—Yb2—O4104.6 (2)
Ca1xviii—Ca2—O3xv69.9 (3)Ca1—Si1—Ca1ii63.1 (2)
Ca1xviii—Ca2—O3xvi72.6 (2)Ca1—Si1—Yb10
Ca1xviii—Ca2—O4128.14 (6)Ca1—Si1—Yb1ii63.1 (2)
Ca1xix—Ca2—Ca1xx49.19 (10)Ca1—Si1—Ca2139.10 (16)
Ca1xix—Ca2—Ca1xxi84.03 (5)Ca1—Si1—Ca2iv79.9 (2)
Ca1xix—Ca2—Yb1xviii104.16 (6)Ca1—Si1—Yb2139.10 (16)
Ca1xix—Ca2—Yb1xix0Ca1—Si1—Yb2iv79.9 (2)
Ca1xix—Ca2—Yb1xx49.19 (10)Ca1—Si1—O1ix44.4 (4)
Ca1xix—Ca2—Yb1xxi84.03 (5)Ca1—Si1—O2xvii137.7 (3)
Ca1xix—Ca2—Ca2iv101.13 (6)Ca1—Si1—O360.5 (4)
Ca1xix—Ca2—Ca2xi150.00 (8)Ca1—Si1—O3ii109.4 (6)
Ca1xix—Ca2—Ca2xii146.51 (8)Ca1ii—Si1—Yb163.1 (2)
Ca1xix—Ca2—Ca2xiii97.87 (7)Ca1ii—Si1—Yb1ii0
Ca1xix—Ca2—Ca2viii101.37 (8)Ca1ii—Si1—Ca2139.10 (16)
Ca1xix—Ca2—Ca2xiv60.00 (7)Ca1ii—Si1—Ca2iv79.9 (2)
Ca1xix—Ca2—Yb20Ca1ii—Si1—Yb2139.10 (16)
Ca1xix—Ca2—Yb2iv101.13 (6)Ca1ii—Si1—Yb2iv79.9 (2)
Ca1xix—Ca2—Yb2xi150.00 (8)Ca1ii—Si1—O1ix44.4 (4)
Ca1xix—Ca2—Yb2xii146.51 (8)Ca1ii—Si1—O2xvii137.7 (3)
Ca1xix—Ca2—Yb2xiii97.87 (7)Ca1ii—Si1—O3109.4 (6)
Ca1xix—Ca2—Yb2viii101.37 (8)Ca1ii—Si1—O3ii60.5 (4)
Ca1xix—Ca2—Yb2xiv60.00 (7)Yb1—Si1—Yb1ii63.1 (2)
Ca1xix—Ca2—Si155.95 (14)Yb1—Si1—Ca2139.10 (16)
Ca1xix—Ca2—Si1xi136.0 (2)Yb1—Si1—Ca2iv79.9 (2)
Ca1xix—Ca2—O1xi75.2 (2)Yb1—Si1—Yb2139.10 (16)
Ca1xix—Ca2—O3xi147.4 (3)Yb1—Si1—Yb2iv79.9 (2)
Ca1xix—Ca2—O3xiii42.54 (16)Yb1—Si1—O1ix44.4 (4)
Ca1xix—Ca2—O3xv91.72 (16)Yb1—Si1—O2xvii137.7 (3)
Ca1xix—Ca2—O3xvi114.5 (2)Yb1—Si1—O360.5 (4)
Ca1xix—Ca2—O4127.70 (9)Yb1—Si1—O3ii109.4 (6)
Ca1xx—Ca2—Ca1xxi104.16 (6)Yb1ii—Si1—Ca2139.10 (16)
Ca1xx—Ca2—Yb1xviii84.03 (5)Yb1ii—Si1—Ca2iv79.9 (2)
Ca1xx—Ca2—Yb1xix49.19 (10)Yb1ii—Si1—Yb2139.10 (16)
Ca1xx—Ca2—Yb1xx0Yb1ii—Si1—Yb2iv79.9 (2)
Ca1xx—Ca2—Yb1xxi104.16 (6)Yb1ii—Si1—O1ix44.4 (4)
Ca1xx—Ca2—Ca2iv101.13 (6)Yb1ii—Si1—O2xvii137.7 (3)
Ca1xx—Ca2—Ca2xi150.00 (8)Yb1ii—Si1—O3109.4 (6)
Ca1xx—Ca2—Ca2xii97.87 (7)Yb1ii—Si1—O3ii60.5 (4)
Ca1xx—Ca2—Ca2xiii146.51 (8)Ca2—Si1—Ca2iv74.29 (15)
Ca1xx—Ca2—Ca2viii60.00 (7)Ca2—Si1—Yb20
Ca1xx—Ca2—Ca2xiv101.37 (8)Ca2—Si1—Yb2iv74.29 (15)
Ca1xx—Ca2—Yb20Ca2—Si1—O1ix174.5 (7)
Ca1xx—Ca2—Yb2iv101.13 (6)Ca2—Si1—O2xvii57.3 (5)
Ca1xx—Ca2—Yb2xi150.00 (8)Ca2—Si1—O378.6 (4)
Ca1xx—Ca2—Yb2xii97.87 (7)Ca2—Si1—O3ii78.6 (4)
Ca1xx—Ca2—Yb2xiii146.51 (8)Ca2iv—Si1—Yb274.29 (15)
Ca1xx—Ca2—Yb2viii60.00 (7)Ca2iv—Si1—Yb2iv0
Ca1xx—Ca2—Yb2xiv101.37 (8)Ca2iv—Si1—O1ix111.2 (7)
Ca1xx—Ca2—Si155.95 (14)Ca2iv—Si1—O2xvii131.6 (6)
Ca1xx—Ca2—Si1xi136.0 (2)Ca2iv—Si1—O352.1 (3)
Ca1xx—Ca2—O1xi75.2 (2)Ca2iv—Si1—O3ii52.1 (3)
Ca1xx—Ca2—O3xi114.5 (2)Yb2—Si1—Yb2iv74.29 (15)
Ca1xx—Ca2—O3xiii91.72 (16)Yb2—Si1—O1ix174.5 (7)
Ca1xx—Ca2—O3xv42.54 (16)Yb2—Si1—O2xvii57.3 (5)
Ca1xx—Ca2—O3xvi147.4 (3)Yb2—Si1—O378.6 (4)
Ca1xx—Ca2—O4127.70 (9)Yb2—Si1—O3ii78.6 (4)
Ca1xxi—Ca2—Yb1xviii49.54 (10)Yb2iv—Si1—O1ix111.2 (7)
Ca1xxi—Ca2—Yb1xix84.03 (5)Yb2iv—Si1—O2xvii131.6 (6)
Ca1xxi—Ca2—Yb1xx104.16 (6)Yb2iv—Si1—O352.1 (3)
Ca1xxi—Ca2—Yb1xxi0Yb2iv—Si1—O3ii52.1 (3)
Ca1xxi—Ca2—Ca2iv150.19 (6)O1ix—Si1—O2xvii117.2 (8)
Ca1xxi—Ca2—Ca2xi101.65 (6)O1ix—Si1—O3104.6 (6)
Ca1xxi—Ca2—Ca2xii101.81 (10)O1ix—Si1—O3ii104.6 (6)
Ca1xxi—Ca2—Ca2xiii60.19 (8)O2xvii—Si1—O3112.6 (6)
Ca1xxi—Ca2—Ca2viii146.57 (9)O2xvii—Si1—O3ii112.6 (6)
Ca1xxi—Ca2—Ca2xiv97.63 (8)O3—Si1—O3ii104.1 (5)
Ca1xxi—Ca2—Yb20Ca1—O1—Ca1ii91.6 (4)
Ca1xxi—Ca2—Yb2iv150.19 (6)Ca1—O1—Ca2iv114.3 (5)
Ca1xxi—Ca2—Yb2xi101.65 (6)Ca1—O1—Si1x106.4 (5)
Ca1xxi—Ca2—Yb2xii101.81 (10)Ca1ii—O1—Ca2iv114.3 (5)
Ca1xxi—Ca2—Yb2xiii60.19 (8)Ca1ii—O1—Si1x106.4 (5)
Ca1xxi—Ca2—Yb2viii146.57 (9)Ca2iv—O1—Si1x119.9 (6)
Ca1xxi—Ca2—Yb2xiv97.63 (8)Ca1xix—O2—Ca1xx91.8 (3)
Ca1xxi—Ca2—Si1139.51 (13)Ca1xix—O2—Yb1xix0
Ca1xxi—Ca2—Si1xi52.1 (2)Ca1xix—O2—Yb1xx91.8 (3)
Ca1xxi—Ca2—O1xi32.19 (17)Ca1xix—O2—Si1v128.6 (4)
Ca1xxi—Ca2—O3xi72.6 (2)Ca1xx—O2—Yb1xix91.8 (3)
Ca1xxi—Ca2—O3xiii69.9 (3)Ca1xx—O2—Yb1xx0
Ca1xxi—Ca2—O3xv115.3 (3)Ca1xx—O2—Si1v128.6 (4)
Ca1xxi—Ca2—O3xvi43.3 (3)Yb1xix—O2—Yb1xx91.8 (3)
Ca1xxi—Ca2—O4128.14 (6)Yb1xix—O2—Si1v128.6 (4)
Yb1xviii—Ca2—Yb1xix104.16 (6)Yb1xx—O2—Si1v128.6 (4)
Yb1xviii—Ca2—Yb1xx84.03 (5)Ca2iv—O3—Ca2viii116.6 (2)
Yb1xviii—Ca2—Yb1xxi49.54 (10)Ca2iv—O3—Yb2viii116.6 (2)
Yb1xviii—Ca2—Ca2iv150.19 (6)Ca2iv—O3—Si197.0 (4)
Yb1xviii—Ca2—Ca2xi101.65 (6)Ca2viii—O3—Yb2viii0
Yb1xviii—Ca2—Ca2xii60.19 (8)Ca2viii—O3—Si1139.7 (6)
Yb1xviii—Ca2—Ca2xiii101.81 (10)Yb2viii—O3—Si1139.7 (6)
Yb1xviii—Ca2—Ca2viii97.63 (8)Ca2—O4—Ca2iv120.00 (9)
Yb1xviii—Ca2—Ca2xiv146.57 (9)Ca2—O4—Ca2xi120.00 (10)
Yb1xviii—Ca2—Yb20Ca2—O4—Yb20
Yb1xviii—Ca2—Yb2iv150.19 (6)Ca2—O4—Yb2iv120.00 (9)
Yb1xviii—Ca2—Yb2xi101.65 (6)Ca2—O4—Yb2xi120.00 (10)
Yb1xviii—Ca2—Yb2xii60.19 (8)Ca2iv—O4—Ca2xi120.00 (10)
Yb1xviii—Ca2—Yb2xiii101.81 (10)Ca2iv—O4—Yb2120.00 (9)
Yb1xviii—Ca2—Yb2viii97.63 (8)Ca2iv—O4—Yb2iv0
Yb1xviii—Ca2—Yb2xiv146.57 (9)Ca2iv—O4—Yb2xi120.00 (10)
Yb1xviii—Ca2—Si1139.51 (13)Ca2xi—O4—Yb2120.00 (10)
Yb1xviii—Ca2—Si1xi52.1 (2)Ca2xi—O4—Yb2iv120.00 (10)
Yb1xviii—Ca2—O1xi32.19 (17)Ca2xi—O4—Yb2xi0
Yb1xviii—Ca2—O3xi43.3 (3)Yb2—O4—Yb2iv120.00 (9)
Yb1xviii—Ca2—O3xiii115.3 (3)Yb2—O4—Yb2xi120.00 (10)
Yb1xviii—Ca2—O3xv69.9 (3)Yb2iv—O4—Yb2xi120.00 (10)
Symmetry codes: (i) x, y, z1/2; (ii) x, y, z+1/2; (iii) x, y+1, z; (iv) y, xy, z; (v) x+y+1, x+1, z; (vi) x+1, y+1, z1/2; (vii) y, x+y+1, z1/2; (viii) xy, x, z1/2; (ix) y+1, xy+1, z; (x) x+y, x+1, z; (xi) x+y, x, z; (xii) y, x+y, z1/2; (xiii) y, x+y, z+1/2; (xiv) xy, x, z+1/2; (xv) y, x+y, z; (xvi) x+y, x, z+1/2; (xvii) y+1, xy, z; (xviii) x, y1, z; (xix) x+1, y+1, z+1/2; (xx) x+1, y+1, z; (xxi) x, y1, z+1/2.
Sodium lanthanum silicate oxyapatite (Na-La) top
Crystal data top
NaLa9(SiO4)6O2Z = 1
Mr = 1857.63Dx = 5.279 Mg m3
Hexagonal, P63/mCu Kα radiation, λ = 1.54188 Å
a = 9.69061 (7) ÅT = 295 K
c = 7.18567 (6) Åwhite
V = 584.39 (1) Å3flat_sheet, 25 × 25 mm
Data collection top
Bruker D8 Advance
diffractometer
Data collection mode: reflection
Radiation source: sealed X-ray tubeScan method: step
Specimen mounting: packed powder pellet2θmin = 10°, 2θmax = 70°, 2θstep = 0.009°
Refinement top
Rp = 0.0429 parameters
Rwp = 0.06Weighting scheme based on measured s.u.'s
Rexp = 0.03(Δ/σ)max = 0.037
RBragg = 0.05Background function: Chebychev
6994 data pointsPreferred 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
xyzUiso*/UeqOcc. (<1)
Na10.3333330.6666670.0027790.0127*0.25
La10.3333330.6666670.0027790.0127*0.75
La20.2315680.0136050.250.0127*
Si10.4026590.3708090.250.0127*
O10.3280410.4813440.250.0127*
O20.5880060.4631090.250.0127*
O30.3362770.2525420.0744790.0127*
O4000.250.0127*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
???????
Geometric parameters (Å, º) top
Na1—Na1i3.5529La1—O2v2.5054
Na1—Na1ii3.6328La1—O2vi2.5054
Na1—La10La1—O2vii2.5054
Na1—La1i3.5529La2—O3viii2.4653
Na1—La1ii3.6328La2—O3ix2.4653
La1—La1i3.5529La2—O42.3128
La1—La1ii3.6328Si1—O11.5636
La1—O12.5367Si1—O21.5555
La1—O1iii2.5367Si1—O31.6065
La1—O1iv2.5367Si1—O3ii1.6065
Na1i—Na1—Na1ii180La1i—La1—O2vi44.84
Na1i—Na1—La10La1i—La1—O2vii44.84
Na1i—Na1—La1i0La1ii—La1—O144.27
Na1i—Na1—La1ii180La1ii—La1—O1iii44.27
Na1ii—Na1—La10La1ii—La1—O1iv44.27
Na1ii—Na1—La1i180La1ii—La1—O2v135.16
Na1ii—Na1—La1ii0La1ii—La1—O2vi135.16
La1—Na1—La1i0La1ii—La1—O2vii135.16
La1—Na1—La1ii0O1—La1—O1iii74.39
La1i—Na1—La1ii180O1—La1—O1iv74.39
Na1—La1—Na1i0O1—La1—O2v93.2
Na1—La1—Na1ii0O1—La1—O2vi154.53
Na1—La1—La1i0O1—La1—O2vii124.37
Na1—La1—La1ii0O1iii—La1—O1iv74.39
Na1—La1—O10O1iii—La1—O2v124.36
Na1—La1—O1iii0O1iii—La1—O2vi93.2
Na1—La1—O1iv0O1iii—La1—O2vii154.53
Na1—La1—O2v0O1iv—La1—O2v154.53
Na1—La1—O2vi0O1iv—La1—O2vi124.37
Na1—La1—O2vii0O1iv—La1—O2vii93.2
Na1i—La1—Na1ii180O2v—La1—O2vi75.28
Na1i—La1—La1i0O2v—La1—O2vii75.28
Na1i—La1—La1ii180O2vi—La1—O2vii75.28
Na1i—La1—O1135.73O3viii—La2—O3ix142.09
Na1i—La1—O1iii135.73O3viii—La2—O4103.4
Na1i—La1—O1iv135.73O3ix—La2—O4103.4
Na1i—La1—O2v44.84O1—Si1—O2113.74
Na1i—La1—O2vi44.84O1—Si1—O3109.35
Na1i—La1—O2vii44.84O1—Si1—O3ii109.35
Na1ii—La1—La1i180O2—Si1—O3110.22
Na1ii—La1—La1ii0O2—Si1—O3ii110.22
Na1ii—La1—O144.27O3—Si1—O3ii103.46
Na1ii—La1—O1iii44.27La1—O1—La1ii91.46
Na1ii—La1—O1iv44.27La1—O1—Si1129.23
Na1ii—La1—O2v135.16La1ii—O1—Si1129.23
Na1ii—La1—O2vi135.16La1x—O2—La1xi90.32
Na1ii—La1—O2vii135.16La1x—O2—Si1105.37
La1i—La1—La1ii180La1xi—O2—Si1105.37
La1i—La1—O1135.73La2vii—O3—Si1143.18
La1i—La1—O1iii135.73La2—O4—La2xii120
La1i—La1—O1iv135.73La2—O4—La2xiii120
La1i—La1—O2v44.84La2xii—O4—La2xiii120
Symmetry codes: (i) x, y, z1/2; (ii) x, y, z+1/2; (iii) y+1, xy+1, z; (iv) x+y, x+1, z; (v) x+1, y+1, z1/2; (vi) y, x+y+1, z1/2; (vii) xy, x, z1/2; (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, xy, 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 top
Chemistrya (Å)c (Å)Volume (Å3)Density (Mg m-3)Reference
Ca2La8(SiO4)6O29.65567.15325785.105Current study
Ca2La8(SiO4)6O29.6517.1515775.112PDF 00-029-0337
Ca2La8(SiO4)6O29.6517.1555775.110(Schroeder & Mathew, 1978)
Ca2La8(SiO4)6O29.637.125715.165(Ito, 1968)
Ca2Ce8(SiO4)6O29.59917.09285665.239(Massoni et al., 2018)
Ca2Pr8(SiO4)6O29.5657.0605595.319PDF 00-029-0362
Ca2Nd8(SiO4)6O29.52417.02215525.474Current study
Ca2Nd8(SiO4)6O29.5297.0225525.466PDF 00-028-0228
Ca2Nd8(SiO4)6O29.52917.02225525.467(Fahey et al., 1985)
Ca2Nd8(SiO4)6O29.527.005495.501(Ito, 1968)
Ca2Sm8(SiO4)6O29.46696.94815395.749Current study
Ca2Sm8(SiO4)6O29.4666.9495395.752PDF 00-029-0365
Ca2Sm8(SiO4)6O29.446.935355.797(Ito, 1968)
Ca2Eu8(SiO4)6O29.44086.91805345.846Current study
Ca2Eu8(SiO4)6O29.4406.9185345.848PDF 00-029-0320
Ca2Gd8(SiO4)6O29.396.875256.081(Ito, 1968)
Ca2Gd8(SiO4)6O29.4216.8885296.030PDF 00-028-0212
Ca2Dy8(SiO4)6O29.376.815186.298(Ito, 1968)
Ca2Er8(SiO4)6O29.336.755096.534(Ito, 1968)
Ca2Yb8(SiO4)6O29.29746.69755016.785Current study
Ca2Lu8(SiO4)6O29.286.684986.884(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 top
Measurements 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 IDMean (std devn)ARESiO (calc. stoch.)Total
Ca2La8Si6O26Mass %4.74 (0.18)62.45 (0.98)9.48 (0.21)23.48 (0.33)100.15 (1.29)
Atoms2.09 (0.10)7.96 (0.085.97 (0.05)25.98 (0.03)42
Ca2Nd8Si6O26Mass %4.47 (0.04)63.34 (0.25)9.44 (0.05)23.08 (0.06)100.33 (0.28)
Atoms2.01 (0.02)7.92 (0.03)6.06 (0.02)26.01 (0.01)42
Ca2Sm8Si6O26Mass %4.42 (0.03)65.72 (0.34)9.51 (0.05)23.09 (0.05)102.75 (0.34)
Atoms1.99 (0.01)7.88 (0.04)6.11 (0.03)26.03 (0.01)42
Ca2Eu8Si6O26Mass %4.38 (0.09)63.31 (1.09)8.35 (0.03)21.26 (0.12)97.29 (1.11)
Atoms2.13 (0.06)8.13 (0.10)5.80 (0.04)25.93 (0.004)42
Ca2Yb8Si6O26Mass %4.10 (0.10)67.01 (1.15)9.14 (0.17)21.35 (0.29)101.59 (1.45)
Atoms2.00 (0.05)7.57 (0.08)6.36 (0.07)26.07 (0.02)42
NaLa9Si6O26Mass %1.08 (0.08)68.46 (0.41)8.73 (0.16)22.15 (0.15)100.43 (0.37)
Atoms0.88 (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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