Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S2053229614019822/fn3179sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S2053229614019822/fn3179Isup2.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S2053229614019822/fn3179IIsup3.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S2053229614019822/fn3179IIIsup4.hkl |
CCDC references: 1022605; 1022606; 1022607
The study of the structures of novel compounds of metals has been an ongoing program in our laboratory over the past decade. The focus of our research has been on materials in which the constituting elements have very different electronegativities, commonly referred to as polar intermetallics and/or Zintl phases (Nesper, 1991; Corbett, 2000; Guloy, 2006; Corbett, 2010). In an arguably oversimplified fashion, such compounds can be considered to be stabilized at a certain valence electron count for a given structure. This conjecture can be supported by interpreting the density of states (DOS) calculations and identifying the Fermi level at local minima of the DOS, which should correspond to the optimal valence electron count (Guloy, 2006).
Not long ago, we reported on our work concrening the extended series RE7Zn21+xTt2-x (RE = La–Nd; Tt = Ge, Sn and Pb) (Suen & Bobev, 2013a). Almost simultaneously, the synthesis and the structural characterization of RE7Zn21+xSi2-x (RE = La and Ce) were reported by Malik et al. (2013). In the meantime, our group has developed and report for the first time in this article the isostructural Nd and Pr compounds, as well as complementary results to the previously reported Ce compound. The synthetic efforts to prepare analogs of the title compounds RE7Zn21+xTt2-x with the heavier rare-earth metals proved unsuccessful, suggesting that similar to RE7Zn21+xTt2-x (RE = La–Nd; Tt = Ge, Sn, and Pb) and RE2Zn5Tt (RE = La–Nd; Tt = Sn and Pb) (Suen & Bobev, 2013b), the structures of these ternaries are sensitive to the size of the rare-earth metals – it appears that those that are smaller than Sm are not a good `fit' for the cage-like substructure, made up of mostly Zn atoms. This simplistic view can be correlated with other thermodynamic factors (such as melting points and/or stability of neighboring phases in the respective phase diagrams), which may come into play here as well and contribute to the limited range of rare-earth metal analogs.
The starting materials were stored and handled inside of an argon filled glove-box to prevent oxidation and minimize the chances of impurities. Rare-earth metals in the form of ingots (99.9 wt% stated purity from Ames Laboratory), Si powder (99.99 wt% from Alfa–Asear), and Zn shot (99.99 wt% from Acros) were used. The rare-earth metals and the zinc were first reduced to powders (in the glove-box) using small files. Next, weighed stoichiometric amounts of the respective elements were pressed into pellets. The pellets were taken out of the glove-box and sealed in evacuated fused silica tubes. The reaction mixtures were heated to 873 K (at a rate of 200 K hr-1) for 24 h and then cooled to room temperature by removing the silica tubes out of the furnace. In the subsequent step, the pellets were crushed and ground to ensure homogenization (again in the glove-box). New pellets were pressed, sealed in evacuated fused silica tubes, and heated for a second time at 1073 K for 72 h, and then cooled to room temperature by removing the samples from the furnace.
Powder X-ray diffraction patterns show that the title compounds were the major product. The typical minor impurity phases were RE3Zn22 (Kripyakevich et al., 1967), RE3Zn11 (Lott & Chiotti, 1966), and RE2Zn17 (Siegrist & Le Page, 1987). These were estimated to be less than ca 5–10%.
Powder X-ray diffraction data were taken at room temperature on a Rigaku MiniFlex powder diffractometer with Cu Kα radiation. The instrument is kept in a nitrogen-filled glove-box which allows for the samples to be handled under an inert atmosphere. The powder X-ray diffraction patterns indicated that the compounds are stable in air for at least two weeks.
Single-crystal X-ray diffraction data were collected on a Bruker SMART CCD-based diffractometer, which uses a monochromated Mo Kα sealed-tube source. Single crystals were selected from the crushed as-prepared pellets and cut to smaller sizes (less than ca 0.08 mm) under an optical microscope. The chosen crystals were mounted on glass fibers with Paratone-N oil. Short scans were done for a multitude of crystals before the best ones were found. For those, full spheres of intensity data were collected in four batches. Following semi-empirical absorption, the data were sorted and merged with XPREP, which helped identify the centrosymmetric space group Pbam (No. 55) based on systematic absences and intensity statistics. The structure was solved by direct methods, as implemented in SHELXS97 (Sheldrick, 2008). The solution identified the positions of all the atoms. Subsequent refinements showed that the electron density at the Si position corresponded to an atom that was slightly heavier than Si. Positional Zn–Si disorder was then introduced, in a similar fashion as the previously identified structures RE7Zn21+xTt2-x (RE = La–Nd; Tt = Ge, Sn, and Pb), reported by our group (Suen & Bobev, 2013a). Those refinements showed co-occupation for the site led as follows: 52.7 (5)% Si and 47.3 (5)% Zn for the Ce compound, 95.7 (7)% Si and 4.3 (7) % Zn for the Pr compound, and 74 (1)% Si and 26 (1)% Zn for the Nd compound.
Field-cooled direct current magnetic susceptibility measurements were performed using a physical property measurement system (PPMS) by QuantumDesign. The samples (about 100 mg, polycrystalline form) were loaded in gel capsules, and secured with cotton to prevent movement during the measurement. The data was corrected for the contributions from the holder and converted to molar susceptibility (χm = M/H). Using a linear fit of the inverse magnetic susceptibility versus temperature, the Curie constant (C) and the paramagnetic Weiss temperatures (Θ) were determined. The net effective moments (µeff) were calculated according to the relation χm = (7.99C)1/2 (Kittel, 1996).
The title compounds, RE7Zn21+xSi2-x [RE = Ce, Pr, Nd; RE = Ce, Pr and Nd; 0.09 (1) < x < 0.95 (1)], crystallize in the orthorhombic space group Pbam. The structure type (Pearson symbol oP60) is the same as for the analogous compounds RE7Zn21+xTt2-x (RE = La–Nd; Tt = Si, Ge, Sn, and Pb), as reported elsewhere (Malik et al., 2013; Suen & Bobev, 2013a). The discovery of the Nd ternary compound, in both the previously reported Ge system (Suen & Bobev, 2013a), as well as the Si system, brings attention to the earlier Nd–Zn–Si phase diagram investigations (Salamakha et al., 1998), which did not turn any evidence in support of the newly identified Nd7Zn21+xSi2-x phase. This may suggest that the phase space in these systems is not well charted and that there could be other compounds with unknown structures/compositions, still awaiting their discoveries.
The three refined structures cover what is believed to be the whole homogeneity range of the structure, with the Pr compound being the example of the Si-richest composition range and the Ce compound being the example of the Si-leanest. Other compositions with the same rare-earth metals can be obtained as well, but no dependence on the composition with the nature (size) of the rare-earth metals could be established.
Within the the asymmetric unit (Fig. 1), there are 16 unique crystallographic sites: one for the Si atom, four for the rare-earth metal atoms, and 11 unique sites for the Zn atoms. As previously discussed in both this and antecedent reports, the silicon site experiences occupational disorder as silicon mixes with zinc. All other sites are devoid of disorder and are fully occupied.
Fig. 2 depicts a schematic representation of the structure, which emphasizes the Zn–Si framework. The best projection for looking at it is approximately down the [001] direction. The structure can be rationalized as being composed of two types of building blocks. The first one is a complex double-cage that comprises 30 Zn atoms. Each of the subunits of the double-cage hosts a rare-earth metal atom (labeled as #3 in our refinements; Fig. 1).
The second building block is the trigonal planar fragment around the Si site (co-occupied by Si and Zn). The latter has only three next-nearest neighbors within the ab plane. This trigonal planar unit connects the 30-membered Zn double-cages to one another in such a way that alternating pentagonal and hexagonal rings result.
The 30-atom double-cages are also linked to one another via four Zn—Zn bonds in the ab plane. These bonds occur between Zn atoms #8 and #9, as labeled in our refinements (Fig. 1). The Zn polyhedra have a depth equivalent to the c axis and are stacked in this direction. As discussed in our previous publication (Suen & Bobev, 2013a), structural associations can be made with other structures. For example, in RE2Zn5Tt (Suen & Bobev, 2013b), which formally belongs to the LaRhSn2 structure type (Niepmann et al., 1999), there also exists a fragment that resembles a single Zn cage.
We had also described the Zn—Zn bonding there as being flexible, and the variations in the Zn—Zn bond lengths support this notion, e.g. in Ce7Zn21.95Si1.05 (1), one can see a range of Zn—Zn bonds, some being as short as 2.511 (1) Å, while others are as long as 2.964 (1) Å. We also see a similar breakup of the Zn—Zn interactions in the title compounds – the bonding apparently falls into two groups: one ranging from 2.511 (1) to 2.673 (1) Å and the other ranging from 2.734 (2) to 2.964 (1) Å. Similar traits can be recognized for Ce3Zn11 as well (Lott & Chiotti, 1966).
In contrast, the Si—Zn bonding interactions are `stiffer' and all bonds have roughly the same distances. For Ce7Zn21.95Si1.05 (1), one can observe that Si1—Zn10, Si1—Zn7, and Si1—Zn6 measure 2.512 (2), 2.528 (2), and 2.556 (2) Å, respectively. In comparison with the sum of the corresponding Pauling single-bond radii (Pauling, 1960) (rSi + rZn = 1.173 + 1.213 = 2.389 Å), the observed distances clearly correspond to bonding of a covalent nature.
Electronic structure considerations regarding the valence electron counts of the three RE–Zn–Si compounds show comparable features to what we previously reported for the Ge, Sn, and Pb analogs (Suen & Bobev, 2013a). The expected electron count for an idealized RE2Zn21Si2 compound is 71 electrons per formula unit. A nearly ideal electron count is achieved only for Pr7Zn21.09Si1.91 (1), while for Ce7Zn21.95Si1.05 (1), the structure is realized with nearly two fewer electrons.
Only the Ce and Pr compounds were measured; the Nd sample had more than 10% impurity phases and was not suitable. The temperature dependent dc magnetization measurements were performed on polycrystalline samples within the temperature range from 5 to 300 K in field-cooling mode. As seen in Fig. 3, in the high-temperature regime (> ca 100 K), the magnetic susceptibility follows the Curie–Weiss law χ(T) = C/(T-Θp) (Kittel, 1996). In the equation, C is the Curie constant (C = NAµ2eff/3kB), and Θp is the Weiss temperature. From the linear fits, we calculated effective magnetic moments (µeff) of 2.84 µB per Ce atom and 3.82 µB per Pr atom. These values are close to the theoretical values of RE3+, as predicted by the Hund's rules (Kittel, 1996). One will notice that the effective magnetic moments are higher that the free-ion Ce3+ (2.54 µB) and Pr3+ (3.58 µB) (Kittel, 1996), which could be a sign of a sub-par sample purity. Recall that by powder X-ray diffraction, which is only a crude estimate of the samples' homogeneity, up to 10% secondary phases were detected. Nonetheless, the magnetic responses of the title compounds can be clearly seen as originating from the core 4f electrons. The magnetic interactions in such metallic systems are expected to follow the Ruderman–Kittel–Kasuya–Yosida (RKKY) mechanism (Kittel, 1996).
In the low-temperature range, no apparent long-range magnetic ordering was detected down to 5 K; however, the inverse susceptibilities start to deviate from the linear fits, especially for the Ce-sample. This is suggestive of the presence of short-range magnetic coupling between the Ce3+ ions.
It should also be noted that the paramagnetic Weiss temperatures for the material in question is abnormally high (ca -76 K) for a system that does not undergo magnetic ordering in this temperature interval. Assuming that the discussed magnetism is due to the major Ce7Zn21.95Si1.05 (1) phase, and not to some small impurity such as Ce3Zn22 or Ce2Zn17, a complex low-temperature physics in this material might be inferred. Possible Kondo/heavy-fermion behavior could very well exist for this phase, which warrants further investigations.
For related literature, see: Corbett (2000, 2010); Guloy (2006); Kittel (1996); Kripyakevich et al. (1967); Lott & Chiotti (1966); Malik et al. (2013); Nesper (1991); Niepmann et al. (1999); Pauling (1960); Salamakha et al. (1998); Sheldrick (2008); Siegrist & Le Page (1987); Suen & Bobev (2013a, 2013b).
For all compounds, data collection: APEX2 (Bruker, 2007); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT (Bruker, 2007); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXTL (Sheldrick, 2008); molecular graphics: CrystalMaker (Palmer, 2007); software used to prepare material for publication: publCIF (Westrip, 2010).
Ce7Zn21.95Si1.05 | Dx = 6.855 Mg m−3 |
Mr = 2447.07 | Mo Kα radiation, λ = 0.71073 Å |
Orthorhombic, Pbam | Cell parameters from 360 reflections |
a = 15.504 (5) Å | θ = 5.2–28.9° |
b = 17.105 (6) Å | µ = 34.91 mm−1 |
c = 4.4705 (13) Å | T = 200 K |
V = 1185.6 (6) Å3 | Irregular, silver-grey |
Z = 2 | 0.06 × 0.05 × 0.03 mm |
F(000) = 2160 |
Bruker APEXII CCD diffractometer | 1408 reflections with I > 2σ(I) |
φ and ω scans | Rint = 0.059 |
Absorption correction: multi-scan (SADABS; Sheldrick, 2008) | θmax = 28.3°, θmin = 1.8° |
Tmin = 0.463, Tmax = 0.746 | h = −20→20 |
15882 measured reflections | k = −22→22 |
1649 independent reflections | l = −5→5 |
Refinement on F2 | 0 restraints |
Least-squares matrix: full | w = 1/[σ2(Fo2) + (0.0068P)2] where P = (Fo2 + 2Fc2)/3 |
R[F2 > 2σ(F2)] = 0.022 | (Δ/σ)max = 0.001 |
wR(F2) = 0.034 | Δρmax = 1.00 e Å−3 |
S = 1.05 | Δρmin = −1.41 e Å−3 |
1649 reflections | Extinction correction: SHELXTL (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
95 parameters | Extinction coefficient: 0.000203 (13) |
Ce7Zn21.95Si1.05 | V = 1185.6 (6) Å3 |
Mr = 2447.07 | Z = 2 |
Orthorhombic, Pbam | Mo Kα radiation |
a = 15.504 (5) Å | µ = 34.91 mm−1 |
b = 17.105 (6) Å | T = 200 K |
c = 4.4705 (13) Å | 0.06 × 0.05 × 0.03 mm |
Bruker APEXII CCD diffractometer | 1649 independent reflections |
Absorption correction: multi-scan (SADABS; Sheldrick, 2008) | 1408 reflections with I > 2σ(I) |
Tmin = 0.463, Tmax = 0.746 | Rint = 0.059 |
15882 measured reflections |
R[F2 > 2σ(F2)] = 0.022 | 95 parameters |
wR(F2) = 0.034 | 0 restraints |
S = 1.05 | Δρmax = 1.00 e Å−3 |
1649 reflections | Δρmin = −1.41 e Å−3 |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Ce1 | 0.16680 (3) | 0.18186 (2) | 0.5000 | 0.00631 (9) | |
Ce2 | 0.41859 (3) | 0.25799 (2) | 0.5000 | 0.01095 (10) | |
Ce3 | 0.16523 (3) | 0.45460 (2) | 0.0000 | 0.00612 (9) | |
Ce4 | 0.0000 | 0.0000 | 0.5000 | 0.01119 (13) | |
Si1 | 0.02061 (8) | 0.14196 (7) | 0.0000 | 0.0082 (4) | 0.527 (5) |
Zn1 | 0.02061 (8) | 0.14196 (7) | 0.0000 | 0.0082 (4) | 0.473 (5) |
Zn2 | 0.07469 (6) | 0.35913 (5) | 0.5000 | 0.01104 (19) | |
Zn3 | 0.25094 (6) | 0.35439 (5) | 0.5000 | 0.01105 (19) | |
Zn4 | 0.29967 (6) | 0.49566 (5) | 0.5000 | 0.01107 (19) | |
Zn5 | 0.35225 (6) | 0.08025 (5) | 0.5000 | 0.01092 (19) | |
Zn6 | 0.07451 (5) | 0.28321 (5) | 0.0000 | 0.00809 (18) | |
Zn7 | 0.15045 (5) | 0.05256 (5) | 0.0000 | 0.00789 (18) | |
Zn8 | 0.25783 (5) | 0.28209 (4) | 0.0000 | 0.00798 (18) | |
Zn9 | 0.30438 (5) | 0.14150 (5) | 0.0000 | 0.00856 (18) | |
Zn10 | 0.36558 (5) | 0.40072 (5) | 0.0000 | 0.00989 (19) | |
Zn11 | 0.46662 (5) | 0.09756 (5) | 0.0000 | 0.01045 (19) | |
Zn12 | 0.0000 | 0.5000 | 0.5000 | 0.0115 (3) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ce1 | 0.0071 (2) | 0.00693 (19) | 0.00487 (19) | 0.00048 (16) | 0.000 | 0.000 |
Ce2 | 0.0068 (2) | 0.0178 (2) | 0.0082 (2) | −0.00076 (17) | 0.000 | 0.000 |
Ce3 | 0.0068 (2) | 0.00707 (19) | 0.00449 (19) | 0.00030 (15) | 0.000 | 0.000 |
Ce4 | 0.0085 (3) | 0.0167 (3) | 0.0084 (3) | −0.0034 (2) | 0.000 | 0.000 |
Si1 | 0.0059 (7) | 0.0075 (6) | 0.0112 (7) | −0.0002 (5) | 0.000 | 0.000 |
Zn1 | 0.0059 (7) | 0.0075 (6) | 0.0112 (7) | −0.0002 (5) | 0.000 | 0.000 |
Zn2 | 0.0164 (5) | 0.0104 (4) | 0.0064 (4) | −0.0026 (4) | 0.000 | 0.000 |
Zn3 | 0.0168 (5) | 0.0090 (4) | 0.0074 (4) | 0.0034 (4) | 0.000 | 0.000 |
Zn4 | 0.0110 (5) | 0.0150 (4) | 0.0072 (4) | −0.0052 (3) | 0.000 | 0.000 |
Zn5 | 0.0169 (5) | 0.0103 (4) | 0.0056 (4) | 0.0023 (3) | 0.000 | 0.000 |
Zn6 | 0.0105 (4) | 0.0071 (4) | 0.0066 (4) | 0.0006 (3) | 0.000 | 0.000 |
Zn7 | 0.0087 (4) | 0.0080 (4) | 0.0070 (4) | 0.0018 (3) | 0.000 | 0.000 |
Zn8 | 0.0101 (4) | 0.0073 (4) | 0.0066 (4) | 0.0006 (3) | 0.000 | 0.000 |
Zn9 | 0.0090 (4) | 0.0091 (4) | 0.0075 (4) | 0.0020 (3) | 0.000 | 0.000 |
Zn10 | 0.0077 (4) | 0.0086 (4) | 0.0134 (5) | 0.0005 (3) | 0.000 | 0.000 |
Zn11 | 0.0079 (4) | 0.0129 (4) | 0.0106 (4) | −0.0020 (3) | 0.000 | 0.000 |
Zn12 | 0.0099 (6) | 0.0133 (6) | 0.0112 (6) | 0.0019 (5) | 0.000 | 0.000 |
Ce1—Zn8 | 3.1508 (9) | Zn3—Ce3i | 3.1146 (9) |
Ce1—Zn8i | 3.1508 (9) | Zn4—Zn7vi | 2.5576 (8) |
Ce1—Zn7 | 3.1546 (9) | Zn4—Zn7vii | 2.5576 (8) |
Ce1—Zn7i | 3.1547 (9) | Zn4—Zn5vi | 2.7642 (14) |
Ce1—Zn9 | 3.1659 (9) | Zn4—Zn10 | 2.9458 (10) |
Ce1—Zn9i | 3.1659 (9) | Zn4—Zn10i | 2.9458 (10) |
Ce1—Zn6i | 3.1700 (9) | Zn4—Ce4vi | 3.1069 (13) |
Ce1—Zn6 | 3.1700 (9) | Zn4—Ce3i | 3.1359 (9) |
Ce1—Zn3 | 3.2265 (13) | Zn4—Ce1vi | 3.2269 (14) |
Ce1—Zn4ii | 3.2270 (14) | Zn5—Zn9i | 2.5778 (8) |
Ce1—Zn1i | 3.2556 (11) | Zn5—Zn9 | 2.5778 (8) |
Ce1—Si1i | 3.2556 (11) | Zn5—Zn12ii | 2.6704 (11) |
Ce2—Zn3 | 3.0782 (12) | Zn5—Zn4ii | 2.7643 (14) |
Ce2—Zn2iii | 3.1418 (12) | Zn5—Zn11i | 2.8684 (10) |
Ce2—Zn5 | 3.2095 (13) | Zn5—Zn11 | 2.8684 (10) |
Ce2—Zn1iv | 3.2291 (11) | Zn5—Ce3xiii | 3.1126 (9) |
Ce2—Si1iv | 3.2291 (11) | Zn5—Ce3ii | 3.1126 (9) |
Ce2—Zn1iii | 3.2291 (11) | Zn6—Zn2v | 2.5851 (8) |
Ce2—Si1iii | 3.2291 (11) | Zn6—Zn11viii | 2.6377 (13) |
Ce2—Zn6iv | 3.3671 (10) | Zn6—Zn8 | 2.8422 (14) |
Ce2—Zn6iii | 3.3671 (10) | Zn6—Ce1v | 3.1701 (9) |
Ce2—Zn8i | 3.3732 (10) | Zn6—Ce2xi | 3.3671 (10) |
Ce2—Zn8 | 3.3732 (10) | Zn6—Ce2viii | 3.3671 (10) |
Ce2—Zn10i | 3.4106 (10) | Zn7—Zn4xiii | 2.5577 (8) |
Ce3—Zn2v | 3.1038 (9) | Zn7—Zn4ii | 2.5577 (8) |
Ce3—Zn2 | 3.1038 (9) | Zn7—Zn10xiii | 2.6091 (14) |
Ce3—Zn5vi | 3.1126 (9) | Zn7—Zn9 | 2.8302 (13) |
Ce3—Zn5vii | 3.1126 (9) | Zn7—Ce1v | 3.1546 (9) |
Ce3—Zn3 | 3.1145 (9) | Zn7—Ce3xiii | 3.3126 (12) |
Ce3—Zn3v | 3.1145 (9) | Zn7—Ce4v | 3.3535 (9) |
Ce3—Zn4 | 3.1359 (9) | Zn8—Zn9 | 2.5108 (13) |
Ce3—Zn4v | 3.1360 (9) | Zn8—Zn3v | 2.5567 (8) |
Ce3—Zn11vii | 3.1872 (12) | Zn8—Zn10 | 2.6284 (13) |
Ce3—Zn11viii | 3.2061 (13) | Zn8—Ce1v | 3.1509 (9) |
Ce3—Zn9vii | 3.2313 (14) | Zn8—Ce2v | 3.3732 (10) |
Ce3—Zn10 | 3.2401 (13) | Zn9—Zn5v | 2.5778 (8) |
Ce4—Zn4viii | 3.1069 (13) | Zn9—Zn11 | 2.6252 (14) |
Ce4—Zn4ii | 3.1069 (13) | Zn9—Ce1v | 3.1659 (9) |
Ce4—Zn1ix | 3.3158 (11) | Zn9—Ce3xiii | 3.2312 (14) |
Ce4—Zn1i | 3.3158 (11) | Zn9—Ce2v | 3.4788 (9) |
Ce4—Si1ix | 3.3158 (11) | Zn10—Zn1iii | 2.5121 (16) |
Ce4—Si1i | 3.3158 (11) | Zn10—Si1iii | 2.5121 (16) |
Ce4—Zn1x | 3.3158 (11) | Zn10—Zn7vii | 2.6090 (14) |
Ce4—Si1x | 3.3158 (11) | Zn10—Zn4v | 2.9458 (10) |
Ce4—Si1 | 3.3159 (11) | Zn10—Zn3v | 2.9637 (10) |
Ce4—Zn7ix | 3.3535 (9) | Zn10—Ce2v | 3.4106 (10) |
Ce4—Zn7i | 3.3535 (9) | Zn10—Ce4vi | 3.4962 (9) |
Si1—Zn10viii | 2.5121 (16) | Zn11—Zn6iii | 2.6378 (13) |
Si1—Zn7 | 2.5280 (15) | Zn11—Zn12xiii | 2.8370 (8) |
Si1—Zn6 | 2.5565 (16) | Zn11—Zn12ii | 2.8370 (8) |
Si1—Ce2viii | 3.2291 (11) | Zn11—Zn5v | 2.8685 (10) |
Si1—Ce2xi | 3.2291 (11) | Zn11—Zn2iii | 2.8901 (10) |
Si1—Ce1v | 3.2556 (12) | Zn11—Zn2xiv | 2.8901 (10) |
Si1—Ce4v | 3.3159 (11) | Zn11—Ce3xiii | 3.1871 (12) |
Zn2—Zn6 | 2.5851 (8) | Zn11—Ce3iii | 3.2061 (13) |
Zn2—Zn6i | 2.5851 (8) | Zn11—Ce2v | 3.6168 (11) |
Zn2—Zn12 | 2.6733 (11) | Zn12—Zn5viii | 2.6704 (11) |
Zn2—Zn3 | 2.7338 (15) | Zn12—Zn5vi | 2.6704 (11) |
Zn2—Zn11viii | 2.8901 (10) | Zn12—Zn2xv | 2.6733 (11) |
Zn2—Zn11xii | 2.8901 (10) | Zn12—Zn11viii | 2.8371 (8) |
Zn2—Ce3i | 3.1038 (9) | Zn12—Zn11vi | 2.8371 (8) |
Zn2—Ce2viii | 3.1419 (12) | Zn12—Zn11xii | 2.8371 (8) |
Zn3—Zn4 | 2.5319 (14) | Zn12—Zn11vii | 2.8371 (8) |
Zn3—Zn8i | 2.5567 (8) | Zn12—Ce3xvi | 3.4875 (8) |
Zn3—Zn8 | 2.5567 (8) | Zn12—Ce3i | 3.4875 (8) |
Zn3—Zn10i | 2.9637 (10) | Zn12—Ce3xv | 3.4875 (8) |
Zn3—Zn10 | 2.9638 (10) | ||
Zn8—Ce1—Zn8i | 90.38 (3) | Zn9i—Zn5—Zn9 | 120.25 (5) |
Zn8—Ce1—Zn7 | 85.11 (3) | Zn9i—Zn5—Zn12ii | 117.12 (3) |
Zn8i—Ce1—Zn7 | 156.95 (3) | Zn9—Zn5—Zn12ii | 117.12 (3) |
Zn8—Ce1—Zn7i | 156.95 (3) | Zn9i—Zn5—Zn4ii | 88.13 (3) |
Zn8i—Ce1—Zn7i | 85.11 (3) | Zn9—Zn5—Zn4ii | 88.13 (3) |
Zn7—Ce1—Zn7i | 90.24 (3) | Zn12ii—Zn5—Zn4ii | 117.51 (4) |
Zn8—Ce1—Zn9 | 46.84 (2) | Zn9i—Zn5—Zn11i | 57.34 (3) |
Zn8i—Ce1—Zn9 | 108.53 (3) | Zn9—Zn5—Zn11i | 144.27 (4) |
Zn7—Ce1—Zn9 | 53.20 (2) | Zn12ii—Zn5—Zn11i | 61.50 (3) |
Zn7i—Ce1—Zn9 | 113.67 (3) | Zn4ii—Zn5—Zn11i | 125.50 (2) |
Zn8—Ce1—Zn9i | 108.53 (3) | Zn9i—Zn5—Zn11 | 144.27 (4) |
Zn8i—Ce1—Zn9i | 46.84 (2) | Zn9—Zn5—Zn11 | 57.34 (3) |
Zn7—Ce1—Zn9i | 113.67 (3) | Zn12ii—Zn5—Zn11 | 61.50 (3) |
Zn7i—Ce1—Zn9i | 53.20 (2) | Zn4ii—Zn5—Zn11 | 125.50 (2) |
Zn9—Ce1—Zn9i | 89.83 (3) | Zn11i—Zn5—Zn11 | 102.39 (4) |
Zn8—Ce1—Zn6i | 113.88 (3) | Zn9i—Zn5—Ce3xiii | 151.43 (4) |
Zn8i—Ce1—Zn6i | 53.44 (3) | Zn9—Zn5—Ce3xiii | 68.46 (3) |
Zn7—Ce1—Zn6i | 147.86 (3) | Zn12ii—Zn5—Ce3xiii | 73.73 (2) |
Zn7i—Ce1—Zn6i | 81.23 (3) | Zn4ii—Zn5—Ce3xiii | 64.18 (2) |
Zn9—Ce1—Zn6i | 157.10 (3) | Zn11i—Zn5—Ce3xiii | 133.22 (4) |
Zn9i—Ce1—Zn6i | 85.73 (3) | Zn11—Zn5—Ce3xiii | 64.25 (2) |
Zn8—Ce1—Zn6 | 53.44 (3) | Zn9i—Zn5—Ce3ii | 68.46 (3) |
Zn8i—Ce1—Zn6 | 113.88 (3) | Zn9—Zn5—Ce3ii | 151.43 (4) |
Zn7—Ce1—Zn6 | 81.23 (3) | Zn12ii—Zn5—Ce3ii | 73.73 (2) |
Zn7i—Ce1—Zn6 | 147.86 (3) | Zn4ii—Zn5—Ce3ii | 64.18 (2) |
Zn9—Ce1—Zn6 | 85.73 (3) | Zn11i—Zn5—Ce3ii | 64.25 (2) |
Zn9i—Ce1—Zn6 | 157.10 (3) | Zn11—Zn5—Ce3ii | 133.21 (4) |
Zn6i—Ce1—Zn6 | 89.68 (3) | Ce3xiii—Zn5—Ce3ii | 91.80 (3) |
Zn8—Ce1—Zn3 | 47.252 (16) | Zn9i—Zn5—Ce2 | 72.98 (3) |
Zn8i—Ce1—Zn3 | 47.251 (16) | Zn9—Zn5—Ce2 | 72.98 (3) |
Zn7—Ce1—Zn3 | 132.353 (19) | Zn12ii—Zn5—Ce2 | 102.24 (3) |
Zn7i—Ce1—Zn3 | 132.353 (18) | Zn4ii—Zn5—Ce2 | 140.25 (4) |
Zn9—Ce1—Zn3 | 85.82 (2) | Zn11i—Zn5—Ce2 | 72.79 (2) |
Zn9i—Ce1—Zn3 | 85.82 (2) | Zn11—Zn5—Ce2 | 72.79 (2) |
Zn6i—Ce1—Zn3 | 71.48 (2) | Ce3xiii—Zn5—Ce2 | 132.996 (18) |
Zn6—Ce1—Zn3 | 71.48 (2) | Ce3ii—Zn5—Ce2 | 132.996 (18) |
Zn8—Ce1—Zn4ii | 117.70 (2) | Zn9i—Zn5—Ce1 | 62.83 (2) |
Zn8i—Ce1—Zn4ii | 117.70 (2) | Zn9—Zn5—Ce1 | 62.83 (2) |
Zn7—Ce1—Zn4ii | 47.238 (18) | Zn12ii—Zn5—Ce1 | 179.78 (3) |
Zn7i—Ce1—Zn4ii | 47.237 (18) | Zn4ii—Zn5—Ce1 | 62.71 (3) |
Zn9—Ce1—Zn4ii | 71.110 (19) | Zn11i—Zn5—Ce1 | 118.40 (3) |
Zn9i—Ce1—Zn4ii | 71.110 (19) | Zn11—Zn5—Ce1 | 118.40 (3) |
Zn6i—Ce1—Zn4ii | 127.766 (19) | Ce3xiii—Zn5—Ce1 | 106.42 (3) |
Zn6—Ce1—Zn4ii | 127.767 (18) | Ce3ii—Zn5—Ce1 | 106.42 (3) |
Zn3—Ce1—Zn4ii | 146.88 (3) | Ce2—Zn5—Ce1 | 77.54 (3) |
Zn8—Ce1—Zn1i | 155.92 (3) | Si1—Zn6—Zn2 | 118.37 (3) |
Zn8i—Ce1—Zn1i | 86.49 (3) | Si1—Zn6—Zn2v | 118.37 (3) |
Zn7—Ce1—Zn1i | 106.47 (3) | Zn2—Zn6—Zn2v | 119.69 (5) |
Zn7i—Ce1—Zn1i | 46.42 (3) | Si1—Zn6—Zn11viii | 121.56 (5) |
Zn9—Ce1—Zn1i | 155.24 (3) | Zn2—Zn6—Zn11viii | 67.19 (3) |
Zn9i—Ce1—Zn1i | 86.48 (3) | Zn2v—Zn6—Zn11viii | 67.19 (3) |
Zn6i—Ce1—Zn1i | 46.87 (3) | Si1—Zn6—Zn8 | 108.69 (4) |
Zn6—Ce1—Zn1i | 106.53 (3) | Zn2—Zn6—Zn8 | 90.13 (3) |
Zn3—Ce1—Zn1i | 118.24 (2) | Zn2v—Zn6—Zn8 | 90.13 (3) |
Zn4ii—Ce1—Zn1i | 84.56 (3) | Zn11viii—Zn6—Zn8 | 129.75 (4) |
Zn8—Ce1—Si1i | 155.92 (3) | Si1—Zn6—Ce1 | 68.33 (3) |
Zn8i—Ce1—Si1i | 86.49 (3) | Zn2—Zn6—Ce1 | 70.40 (3) |
Zn7—Ce1—Si1i | 106.47 (3) | Zn2v—Zn6—Ce1 | 152.12 (4) |
Zn7i—Ce1—Si1i | 46.42 (3) | Zn11viii—Zn6—Ce1 | 135.161 (16) |
Zn9—Ce1—Si1i | 155.24 (3) | Zn8—Zn6—Ce1 | 62.93 (2) |
Zn9i—Ce1—Si1i | 86.48 (3) | Si1—Zn6—Ce1v | 68.33 (3) |
Zn6i—Ce1—Si1i | 46.87 (3) | Zn2—Zn6—Ce1v | 152.12 (4) |
Zn6—Ce1—Si1i | 106.53 (3) | Zn2v—Zn6—Ce1v | 70.40 (3) |
Zn3—Ce1—Si1i | 118.24 (2) | Zn11viii—Zn6—Ce1v | 135.161 (16) |
Zn4ii—Ce1—Si1i | 84.56 (3) | Zn8—Zn6—Ce1v | 62.93 (2) |
Zn1i—Ce1—Si1i | 0.00 (5) | Ce1—Zn6—Ce1v | 89.68 (3) |
Zn3—Ce2—Zn2iii | 172.77 (3) | Si1—Zn6—Ce3 | 173.45 (4) |
Zn3—Ce2—Zn5 | 103.70 (3) | Zn2—Zn6—Ce3 | 63.04 (3) |
Zn2iii—Ce2—Zn5 | 69.07 (3) | Zn2v—Zn6—Ce3 | 63.04 (3) |
Zn3—Ce2—Zn1iv | 97.46 (3) | Zn11viii—Zn6—Ce3 | 64.99 (3) |
Zn2iii—Ce2—Zn1iv | 87.74 (3) | Zn8—Zn6—Ce3 | 64.76 (3) |
Zn5—Ce2—Zn1iv | 131.22 (2) | Ce1—Zn6—Ce3 | 107.33 (3) |
Zn3—Ce2—Si1iv | 97.46 (3) | Ce1v—Zn6—Ce3 | 107.33 (3) |
Zn2iii—Ce2—Si1iv | 87.74 (3) | Si1—Zn6—Ce2xi | 64.37 (3) |
Zn5—Ce2—Si1iv | 131.22 (2) | Zn2—Zn6—Ce2xi | 132.84 (4) |
Zn1iv—Ce2—Si1iv | 0.00 (3) | Zn2v—Zn6—Ce2xi | 62.09 (3) |
Zn3—Ce2—Zn1iii | 97.46 (3) | Zn11viii—Zn6—Ce2xi | 72.93 (3) |
Zn2iii—Ce2—Zn1iii | 87.74 (3) | Zn8—Zn6—Ce2xi | 135.771 (19) |
Zn5—Ce2—Zn1iii | 131.22 (2) | Ce1—Zn6—Ce2xi | 132.66 (3) |
Zn1iv—Ce2—Zn1iii | 87.61 (4) | Ce1v—Zn6—Ce2xi | 75.02 (2) |
Si1iv—Ce2—Zn1iii | 87.61 (4) | Ce3—Zn6—Ce2xi | 119.95 (2) |
Zn3—Ce2—Si1iii | 97.46 (3) | Si1—Zn6—Ce2viii | 64.37 (3) |
Zn2iii—Ce2—Si1iii | 87.74 (3) | Zn2—Zn6—Ce2viii | 62.09 (3) |
Zn5—Ce2—Si1iii | 131.22 (2) | Zn2v—Zn6—Ce2viii | 132.84 (4) |
Zn1iv—Ce2—Si1iii | 87.61 (4) | Zn11viii—Zn6—Ce2viii | 72.93 (3) |
Si1iv—Ce2—Si1iii | 87.61 (4) | Zn8—Zn6—Ce2viii | 135.771 (19) |
Zn1iii—Ce2—Si1iii | 0.00 (3) | Ce1—Zn6—Ce2viii | 75.02 (2) |
Zn3—Ce2—Zn6iv | 135.923 (17) | Ce1v—Zn6—Ce2viii | 132.66 (3) |
Zn2iii—Ce2—Zn6iv | 46.643 (18) | Ce3—Zn6—Ce2viii | 119.95 (2) |
Zn5—Ce2—Zn6iv | 91.82 (2) | Ce2xi—Zn6—Ce2viii | 83.19 (3) |
Zn1iv—Ce2—Zn6iv | 45.55 (3) | Si1—Zn7—Zn4xiii | 118.10 (3) |
Si1iv—Ce2—Zn6iv | 45.55 (3) | Si1—Zn7—Zn4ii | 118.10 (3) |
Zn1iii—Ce2—Zn6iv | 102.63 (3) | Zn4xiii—Zn7—Zn4ii | 121.84 (5) |
Si1iii—Ce2—Zn6iv | 102.63 (3) | Si1—Zn7—Zn10xiii | 121.76 (5) |
Zn3—Ce2—Zn6iii | 135.923 (17) | Zn4xiii—Zn7—Zn10xiii | 69.51 (3) |
Zn2iii—Ce2—Zn6iii | 46.643 (18) | Zn4ii—Zn7—Zn10xiii | 69.51 (3) |
Zn5—Ce2—Zn6iii | 91.82 (2) | Si1—Zn7—Zn9 | 110.26 (5) |
Zn1iv—Ce2—Zn6iii | 102.63 (3) | Zn4xiii—Zn7—Zn9 | 87.11 (3) |
Si1iv—Ce2—Zn6iii | 102.63 (3) | Zn4ii—Zn7—Zn9 | 87.11 (3) |
Zn1iii—Ce2—Zn6iii | 45.55 (3) | Zn10xiii—Zn7—Zn9 | 127.98 (4) |
Si1iii—Ce2—Zn6iii | 45.55 (3) | Si1—Zn7—Ce1v | 68.89 (3) |
Zn6iv—Ce2—Zn6iii | 83.19 (3) | Zn4xiii—Zn7—Ce1v | 67.87 (3) |
Zn3—Ce2—Zn8i | 46.416 (18) | Zn4ii—Zn7—Ce1v | 149.51 (4) |
Zn2iii—Ce2—Zn8i | 130.33 (2) | Zn10xiii—Zn7—Ce1v | 134.871 (17) |
Zn5—Ce2—Zn8i | 83.05 (2) | Zn9—Zn7—Ce1v | 63.60 (2) |
Zn1iv—Ce2—Zn8i | 80.71 (3) | Si1—Zn7—Ce1 | 68.89 (3) |
Si1iv—Ce2—Zn8i | 80.71 (3) | Zn4xiii—Zn7—Ce1 | 149.51 (4) |
Zn1iii—Ce2—Zn8i | 139.10 (3) | Zn4ii—Zn7—Ce1 | 67.87 (3) |
Si1iii—Ce2—Zn8i | 139.10 (3) | Zn10xiii—Zn7—Ce1 | 134.872 (17) |
Zn6iv—Ce2—Zn8i | 96.67 (3) | Zn9—Zn7—Ce1 | 63.60 (2) |
Zn6iii—Ce2—Zn8i | 174.87 (2) | Ce1v—Zn7—Ce1 | 90.24 (3) |
Zn3—Ce2—Zn8 | 46.416 (17) | Si1—Zn7—Ce3xiii | 173.16 (4) |
Zn2iii—Ce2—Zn8 | 130.32 (2) | Zn4xiii—Zn7—Ce3xiii | 63.04 (2) |
Zn5—Ce2—Zn8 | 83.05 (2) | Zn4ii—Zn7—Ce3xiii | 63.04 (2) |
Zn1iv—Ce2—Zn8 | 139.10 (3) | Zn10xiii—Zn7—Ce3xiii | 65.08 (3) |
Si1iv—Ce2—Zn8 | 139.10 (3) | Zn9—Zn7—Ce3xiii | 62.90 (3) |
Zn1iii—Ce2—Zn8 | 80.71 (3) | Ce1v—Zn7—Ce3xiii | 106.58 (2) |
Si1iii—Ce2—Zn8 | 80.71 (3) | Ce1—Zn7—Ce3xiii | 106.57 (2) |
Zn6iv—Ce2—Zn8 | 174.87 (2) | Si1—Zn7—Ce4v | 66.94 (3) |
Zn6iii—Ce2—Zn8 | 96.67 (3) | Zn4xiii—Zn7—Ce4v | 61.69 (3) |
Zn8i—Ce2—Zn8 | 83.00 (3) | Zn4ii—Zn7—Ce4v | 133.70 (4) |
Zn3—Ce2—Zn10i | 54.061 (19) | Zn10xiii—Zn7—Ce4v | 70.54 (2) |
Zn2iii—Ce2—Zn10i | 129.946 (19) | Zn9—Zn7—Ce4v | 136.942 (16) |
Zn5—Ce2—Zn10i | 126.93 (2) | Ce1v—Zn7—Ce4v | 76.79 (2) |
Zn1iv—Ce2—Zn10i | 44.36 (3) | Ce1—Zn7—Ce4v | 135.74 (3) |
Si1iv—Ce2—Zn10i | 44.36 (3) | Ce3xiii—Zn7—Ce4v | 117.67 (2) |
Zn1iii—Ce2—Zn10i | 101.09 (3) | Si1—Zn7—Ce4 | 66.94 (3) |
Si1iii—Ce2—Zn10i | 101.09 (3) | Zn4xiii—Zn7—Ce4 | 133.70 (4) |
Zn6iv—Ce2—Zn10i | 83.56 (2) | Zn4ii—Zn7—Ce4 | 61.69 (3) |
Zn6iii—Ce2—Zn10i | 139.28 (2) | Zn10xiii—Zn7—Ce4 | 70.54 (2) |
Zn8i—Ce2—Zn10i | 45.59 (2) | Zn9—Zn7—Ce4 | 136.942 (16) |
Zn8—Ce2—Zn10i | 99.72 (2) | Ce1v—Zn7—Ce4 | 135.74 (3) |
Zn2v—Ce3—Zn2 | 92.14 (3) | Ce1—Zn7—Ce4 | 76.79 (2) |
Zn2v—Ce3—Zn5vi | 147.25 (3) | Ce3xiii—Zn7—Ce4 | 117.67 (2) |
Zn2—Ce3—Zn5vi | 78.85 (3) | Ce4v—Zn7—Ce4 | 83.60 (3) |
Zn2v—Ce3—Zn5vii | 78.85 (3) | Zn9—Zn8—Zn3 | 118.38 (2) |
Zn2—Ce3—Zn5vii | 147.25 (3) | Zn9—Zn8—Zn3v | 118.38 (2) |
Zn5vi—Ce3—Zn5vii | 91.80 (3) | Zn3—Zn8—Zn3v | 121.91 (5) |
Zn2v—Ce3—Zn3 | 114.85 (3) | Zn9—Zn8—Zn10 | 123.83 (5) |
Zn2—Ce3—Zn3 | 52.16 (3) | Zn3—Zn8—Zn10 | 69.71 (3) |
Zn5vi—Ce3—Zn3 | 84.36 (3) | Zn3v—Zn8—Zn10 | 69.71 (3) |
Zn5vii—Ce3—Zn3 | 158.83 (3) | Zn9—Zn8—Zn6 | 107.09 (4) |
Zn2v—Ce3—Zn3v | 52.16 (3) | Zn3—Zn8—Zn6 | 87.42 (3) |
Zn2—Ce3—Zn3v | 114.85 (3) | Zn3v—Zn8—Zn6 | 87.42 (3) |
Zn5vi—Ce3—Zn3v | 158.83 (3) | Zn10—Zn8—Zn6 | 129.08 (4) |
Zn5vii—Ce3—Zn3v | 84.36 (3) | Zn9—Zn8—Ce1 | 66.90 (2) |
Zn3—Ce3—Zn3v | 91.73 (3) | Zn3—Zn8—Ce1 | 67.93 (3) |
Zn2v—Ce3—Zn4 | 158.71 (3) | Zn3v—Zn8—Ce1 | 149.85 (4) |
Zn2—Ce3—Zn4 | 84.56 (3) | Zn10—Zn8—Ce1 | 134.812 (16) |
Zn5vi—Ce3—Zn4 | 52.51 (3) | Zn6—Zn8—Ce1 | 63.63 (2) |
Zn5vii—Ce3—Zn4 | 114.53 (3) | Zn9—Zn8—Ce1v | 66.90 (2) |
Zn3—Ce3—Zn4 | 47.79 (3) | Zn3—Zn8—Ce1v | 149.85 (4) |
Zn3v—Ce3—Zn4 | 110.56 (3) | Zn3v—Zn8—Ce1v | 67.93 (3) |
Zn2v—Ce3—Zn4v | 84.56 (3) | Zn10—Zn8—Ce1v | 134.813 (16) |
Zn2—Ce3—Zn4v | 158.71 (3) | Zn6—Zn8—Ce1v | 63.62 (2) |
Zn5vi—Ce3—Zn4v | 114.53 (3) | Ce1—Zn8—Ce1v | 90.38 (3) |
Zn5vii—Ce3—Zn4v | 52.51 (3) | Zn9—Zn8—Ce3 | 170.76 (4) |
Zn3—Ce3—Zn4v | 110.56 (3) | Zn3—Zn8—Ce3 | 63.05 (3) |
Zn3v—Ce3—Zn4v | 47.79 (3) | Zn3v—Zn8—Ce3 | 63.05 (3) |
Zn4—Ce3—Zn4v | 90.92 (3) | Zn10—Zn8—Ce3 | 65.41 (3) |
Zn2v—Ce3—Zn11vii | 96.52 (3) | Zn6—Zn8—Ce3 | 63.67 (3) |
Zn2—Ce3—Zn11vii | 96.52 (3) | Ce1—Zn8—Ce3 | 107.06 (3) |
Zn5vi—Ce3—Zn11vii | 54.16 (2) | Ce1v—Zn8—Ce3 | 107.06 (3) |
Zn5vii—Ce3—Zn11vii | 54.16 (2) | Zn9—Zn8—Ce2v | 70.76 (2) |
Zn3—Ce3—Zn11vii | 134.099 (17) | Zn3—Zn8—Ce2v | 132.01 (4) |
Zn3v—Ce3—Zn11vii | 134.099 (17) | Zn3v—Zn8—Ce2v | 60.70 (3) |
Zn4—Ce3—Zn11vii | 104.74 (3) | Zn10—Zn8—Ce2v | 67.96 (3) |
Zn4v—Ce3—Zn11vii | 104.74 (3) | Zn6—Zn8—Ce2v | 137.706 (17) |
Zn2v—Ce3—Zn11viii | 54.491 (19) | Ce1—Zn8—Ce2v | 137.27 (3) |
Zn2—Ce3—Zn11viii | 54.491 (19) | Ce1v—Zn8—Ce2v | 78.13 (2) |
Zn5vi—Ce3—Zn11viii | 96.23 (2) | Ce3—Zn8—Ce2v | 115.67 (2) |
Zn5vii—Ce3—Zn11viii | 96.23 (2) | Zn9—Zn8—Ce2 | 70.76 (2) |
Zn3—Ce3—Zn11viii | 104.87 (3) | Zn3—Zn8—Ce2 | 60.70 (3) |
Zn3v—Ce3—Zn11viii | 104.87 (3) | Zn3v—Zn8—Ce2 | 132.01 (4) |
Zn4—Ce3—Zn11viii | 134.486 (17) | Zn10—Zn8—Ce2 | 67.96 (3) |
Zn4v—Ce3—Zn11viii | 134.486 (17) | Zn6—Zn8—Ce2 | 137.706 (17) |
Zn11vii—Ce3—Zn11viii | 66.26 (3) | Ce1—Zn8—Ce2 | 78.13 (2) |
Zn2v—Ce3—Zn9vii | 125.903 (19) | Ce1v—Zn8—Ce2 | 137.27 (3) |
Zn2—Ce3—Zn9vii | 125.904 (19) | Ce3—Zn8—Ce2 | 115.67 (2) |
Zn5vi—Ce3—Zn9vii | 47.905 (18) | Ce2v—Zn8—Ce2 | 83.00 (3) |
Zn5vii—Ce3—Zn9vii | 47.905 (18) | Zn8—Zn9—Zn5 | 118.17 (2) |
Zn3—Ce3—Zn9vii | 118.83 (2) | Zn8—Zn9—Zn5v | 118.17 (2) |
Zn3v—Ce3—Zn9vii | 118.83 (2) | Zn5—Zn9—Zn5v | 120.25 (5) |
Zn4—Ce3—Zn9vii | 71.43 (2) | Zn8—Zn9—Zn11 | 123.34 (4) |
Zn4v—Ce3—Zn9vii | 71.43 (2) | Zn5—Zn9—Zn11 | 66.91 (3) |
Zn11vii—Ce3—Zn9vii | 48.28 (3) | Zn5v—Zn9—Zn11 | 66.91 (3) |
Zn11viii—Ce3—Zn9vii | 114.54 (2) | Zn8—Zn9—Zn7 | 105.81 (4) |
Zn2v—Ce3—Zn10 | 106.50 (3) | Zn5—Zn9—Zn7 | 91.40 (3) |
Zn2—Ce3—Zn10 | 106.50 (2) | Zn5v—Zn9—Zn7 | 91.39 (3) |
Zn5vi—Ce3—Zn10 | 106.25 (2) | Zn11—Zn9—Zn7 | 130.85 (4) |
Zn5vii—Ce3—Zn10 | 106.25 (2) | Zn8—Zn9—Ce1 | 66.26 (2) |
Zn3—Ce3—Zn10 | 55.56 (2) | Zn5—Zn9—Ce1 | 70.76 (3) |
Zn3v—Ce3—Zn10 | 55.56 (2) | Zn5v—Zn9—Ce1 | 153.49 (4) |
Zn4—Ce3—Zn10 | 55.00 (2) | Zn11—Zn9—Ce1 | 135.072 (17) |
Zn4v—Ce3—Zn10 | 55.00 (2) | Zn7—Zn9—Ce1 | 63.20 (2) |
Zn11vii—Ce3—Zn10 | 146.42 (3) | Zn8—Zn9—Ce1v | 66.26 (2) |
Zn11viii—Ce3—Zn10 | 147.32 (3) | Zn5—Zn9—Ce1v | 153.49 (4) |
Zn9vii—Ce3—Zn10 | 98.14 (3) | Zn5v—Zn9—Ce1v | 70.76 (3) |
Zn4viii—Ce4—Zn4ii | 180.0 | Zn11—Zn9—Ce1v | 135.072 (16) |
Zn4viii—Ce4—Zn1ix | 85.48 (2) | Zn7—Zn9—Ce1v | 63.19 (2) |
Zn4ii—Ce4—Zn1ix | 94.52 (2) | Ce1—Zn9—Ce1v | 89.83 (3) |
Zn4viii—Ce4—Zn1i | 94.52 (2) | Zn8—Zn9—Ce3xiii | 171.68 (4) |
Zn4ii—Ce4—Zn1i | 85.48 (2) | Zn5—Zn9—Ce3xiii | 63.64 (2) |
Zn1ix—Ce4—Zn1i | 180.00 (4) | Zn5v—Zn9—Ce3xiii | 63.64 (2) |
Zn4viii—Ce4—Si1ix | 85.48 (2) | Zn11—Zn9—Ce3xiii | 64.98 (3) |
Zn4ii—Ce4—Si1ix | 94.52 (2) | Zn7—Zn9—Ce3xiii | 65.87 (3) |
Zn1ix—Ce4—Si1ix | 0.00 (3) | Ce1—Zn9—Ce3xiii | 108.30 (2) |
Zn1i—Ce4—Si1ix | 180.0 | Ce1v—Zn9—Ce3xiii | 108.30 (2) |
Zn4viii—Ce4—Si1i | 94.52 (2) | Zn8—Zn9—Ce2v | 66.28 (3) |
Zn4ii—Ce4—Si1i | 85.48 (2) | Zn5—Zn9—Ce2v | 130.05 (4) |
Zn1ix—Ce4—Si1i | 180.00 (4) | Zn5v—Zn9—Ce2v | 61.91 (3) |
Zn1i—Ce4—Si1i | 0.00 (4) | Zn11—Zn9—Ce2v | 71.11 (3) |
Si1ix—Ce4—Si1i | 180.00 (4) | Zn7—Zn9—Ce2v | 137.483 (17) |
Zn4viii—Ce4—Zn1x | 85.48 (2) | Ce1—Zn9—Ce2v | 132.20 (3) |
Zn4ii—Ce4—Zn1x | 94.52 (2) | Ce1v—Zn9—Ce2v | 76.37 (2) |
Zn1ix—Ce4—Zn1x | 84.77 (4) | Ce3xiii—Zn9—Ce2v | 119.50 (2) |
Zn1i—Ce4—Zn1x | 95.23 (4) | Zn8—Zn9—Ce2 | 66.28 (3) |
Si1ix—Ce4—Zn1x | 84.77 (4) | Zn5—Zn9—Ce2 | 61.91 (3) |
Si1i—Ce4—Zn1x | 95.23 (4) | Zn5v—Zn9—Ce2 | 130.05 (4) |
Zn4viii—Ce4—Si1x | 85.48 (2) | Zn11—Zn9—Ce2 | 71.11 (3) |
Zn4ii—Ce4—Si1x | 94.52 (2) | Zn7—Zn9—Ce2 | 137.484 (17) |
Zn1ix—Ce4—Si1x | 84.77 (4) | Ce1—Zn9—Ce2 | 76.37 (2) |
Zn1i—Ce4—Si1x | 95.23 (4) | Ce1v—Zn9—Ce2 | 132.20 (3) |
Si1ix—Ce4—Si1x | 84.77 (4) | Ce3xiii—Zn9—Ce2 | 119.50 (2) |
Si1i—Ce4—Si1x | 95.23 (4) | Ce2v—Zn9—Ce2 | 79.96 (3) |
Zn1x—Ce4—Si1x | 0.00 (5) | Zn1iii—Zn10—Si1iii | 0.00 (5) |
Zn4viii—Ce4—Si1 | 94.52 (2) | Zn1iii—Zn10—Zn7vii | 112.36 (4) |
Zn4ii—Ce4—Si1 | 85.48 (2) | Si1iii—Zn10—Zn7vii | 112.36 (4) |
Zn1ix—Ce4—Si1 | 95.23 (4) | Zn1iii—Zn10—Zn8 | 112.57 (5) |
Zn1i—Ce4—Si1 | 84.77 (4) | Si1iii—Zn10—Zn8 | 112.57 (5) |
Si1ix—Ce4—Si1 | 95.23 (4) | Zn7vii—Zn10—Zn8 | 135.07 (5) |
Si1i—Ce4—Si1 | 84.77 (4) | Zn1iii—Zn10—Zn4v | 119.48 (3) |
Zn1x—Ce4—Si1 | 180.0 | Si1iii—Zn10—Zn4v | 119.48 (3) |
Si1x—Ce4—Si1 | 180.0 | Zn7vii—Zn10—Zn4v | 54.42 (2) |
Zn4viii—Ce4—Zn7ix | 46.450 (17) | Zn8—Zn10—Zn4v | 101.83 (3) |
Zn4ii—Ce4—Zn7ix | 133.550 (17) | Zn1iii—Zn10—Zn4 | 119.48 (3) |
Zn1ix—Ce4—Zn7ix | 44.54 (3) | Si1iii—Zn10—Zn4 | 119.48 (3) |
Zn1i—Ce4—Zn7ix | 135.46 (3) | Zn7vii—Zn10—Zn4 | 54.42 (2) |
Si1ix—Ce4—Zn7ix | 44.54 (3) | Zn8—Zn10—Zn4 | 101.83 (3) |
Si1i—Ce4—Zn7ix | 135.46 (3) | Zn4v—Zn10—Zn4 | 98.72 (4) |
Zn1x—Ce4—Zn7ix | 100.72 (3) | Zn1iii—Zn10—Zn3v | 119.74 (3) |
Si1x—Ce4—Zn7ix | 100.72 (3) | Si1iii—Zn10—Zn3v | 119.74 (3) |
Si1—Ce4—Zn7ix | 79.28 (3) | Zn7vii—Zn10—Zn3v | 102.07 (3) |
Zn4viii—Ce4—Zn7i | 133.550 (17) | Zn8—Zn10—Zn3v | 54.01 (2) |
Zn4ii—Ce4—Zn7i | 46.450 (17) | Zn4v—Zn10—Zn3v | 50.74 (3) |
Zn1ix—Ce4—Zn7i | 135.46 (3) | Zn4—Zn10—Zn3v | 120.77 (4) |
Zn1i—Ce4—Zn7i | 44.54 (3) | Zn1iii—Zn10—Zn3 | 119.74 (3) |
Si1ix—Ce4—Zn7i | 135.46 (3) | Si1iii—Zn10—Zn3 | 119.74 (3) |
Si1i—Ce4—Zn7i | 44.54 (3) | Zn7vii—Zn10—Zn3 | 102.07 (3) |
Zn1x—Ce4—Zn7i | 79.28 (3) | Zn8—Zn10—Zn3 | 54.01 (2) |
Si1x—Ce4—Zn7i | 79.28 (3) | Zn4v—Zn10—Zn3 | 120.77 (4) |
Si1—Ce4—Zn7i | 100.72 (3) | Zn4—Zn10—Zn3 | 50.74 (3) |
Zn7ix—Ce4—Zn7i | 180.0 | Zn3v—Zn10—Zn3 | 97.91 (4) |
Zn10viii—Si1—Zn7 | 125.88 (6) | Zn1iii—Zn10—Ce3 | 179.63 (4) |
Zn10viii—Si1—Zn6 | 125.98 (5) | Si1iii—Zn10—Ce3 | 179.63 (4) |
Zn7—Si1—Zn6 | 108.14 (5) | Zn7vii—Zn10—Ce3 | 68.01 (3) |
Zn10viii—Si1—Ce2viii | 71.66 (3) | Zn8—Zn10—Ce3 | 67.06 (3) |
Zn7—Si1—Ce2viii | 135.29 (2) | Zn4v—Zn10—Ce3 | 60.70 (2) |
Zn6—Si1—Ce2viii | 70.08 (3) | Zn4—Zn10—Ce3 | 60.70 (2) |
Zn10viii—Si1—Ce2xi | 71.66 (3) | Zn3v—Zn10—Ce3 | 60.07 (2) |
Zn7—Si1—Ce2xi | 135.29 (2) | Zn3—Zn10—Ce3 | 60.07 (2) |
Zn6—Si1—Ce2xi | 70.08 (3) | Zn1iii—Zn10—Ce2v | 63.99 (2) |
Ce2viii—Si1—Ce2xi | 87.61 (4) | Si1iii—Zn10—Ce2v | 63.99 (2) |
Zn10viii—Si1—Ce1v | 136.639 (19) | Zn7vii—Zn10—Ce2v | 137.352 (18) |
Zn7—Si1—Ce1v | 64.69 (3) | Zn8—Zn10—Ce2v | 66.45 (3) |
Zn6—Si1—Ce1v | 64.81 (3) | Zn4v—Zn10—Ce2v | 88.91 (3) |
Ce2viii—Si1—Ce1v | 134.85 (4) | Zn4—Zn10—Ce2v | 167.29 (3) |
Ce2xi—Si1—Ce1v | 75.80 (3) | Zn3v—Zn10—Ce2v | 57.23 (2) |
Zn10viii—Si1—Ce1 | 136.640 (19) | Zn3—Zn10—Ce2v | 116.57 (3) |
Zn7—Si1—Ce1 | 64.69 (3) | Ce3—Zn10—Ce2v | 115.76 (2) |
Zn6—Si1—Ce1 | 64.81 (3) | Zn1iii—Zn10—Ce2 | 63.99 (2) |
Ce2viii—Si1—Ce1 | 75.80 (3) | Si1iii—Zn10—Ce2 | 63.99 (2) |
Ce2xi—Si1—Ce1 | 134.85 (4) | Zn7vii—Zn10—Ce2 | 137.352 (18) |
Ce1v—Si1—Ce1 | 86.72 (4) | Zn8—Zn10—Ce2 | 66.46 (3) |
Zn10viii—Si1—Ce4v | 72.24 (3) | Zn4v—Zn10—Ce2 | 167.29 (3) |
Zn7—Si1—Ce4v | 68.52 (3) | Zn4—Zn10—Ce2 | 88.91 (3) |
Zn6—Si1—Ce4v | 136.35 (2) | Zn3v—Zn10—Ce2 | 116.58 (3) |
Ce2viii—Si1—Ce4v | 143.85 (4) | Zn3—Zn10—Ce2 | 57.24 (2) |
Ce2xi—Si1—Ce4v | 82.78 (3) | Ce3—Zn10—Ce2 | 115.76 (2) |
Ce1v—Si1—Ce4v | 75.98 (2) | Ce2v—Zn10—Ce2 | 81.90 (3) |
Ce1—Si1—Ce4v | 133.11 (4) | Zn1iii—Zn10—Ce4vi | 64.58 (3) |
Zn10viii—Si1—Ce4 | 72.24 (3) | Si1iii—Zn10—Ce4vi | 64.58 (3) |
Zn7—Si1—Ce4 | 68.52 (3) | Zn7vii—Zn10—Ce4vi | 64.74 (2) |
Zn6—Si1—Ce4 | 136.35 (2) | Zn8—Zn10—Ce4vi | 138.925 (15) |
Ce2viii—Si1—Ce4 | 82.78 (3) | Zn4v—Zn10—Ce4vi | 115.10 (3) |
Ce2xi—Si1—Ce4 | 143.85 (4) | Zn4—Zn10—Ce4vi | 56.90 (3) |
Ce1v—Si1—Ce4 | 133.11 (4) | Zn3v—Zn10—Ce4vi | 165.83 (3) |
Ce1—Si1—Ce4 | 75.98 (2) | Zn3—Zn10—Ce4vi | 90.30 (3) |
Ce4v—Si1—Ce4 | 84.77 (4) | Ce3—Zn10—Ce4vi | 115.68 (2) |
Zn6—Zn2—Zn6i | 119.69 (5) | Ce2v—Zn10—Ce4vi | 128.54 (3) |
Zn6—Zn2—Zn12 | 116.89 (3) | Ce2—Zn10—Ce4vi | 77.59 (2) |
Zn6i—Zn2—Zn12 | 116.89 (3) | Zn9—Zn11—Zn6iii | 112.73 (4) |
Zn6—Zn2—Zn3 | 89.21 (3) | Zn9—Zn11—Zn12xiii | 110.07 (2) |
Zn6i—Zn2—Zn3 | 89.21 (3) | Zn6iii—Zn11—Zn12xiii | 109.82 (3) |
Zn12—Zn2—Zn3 | 117.37 (4) | Zn9—Zn11—Zn12ii | 110.07 (2) |
Zn6—Zn2—Zn11viii | 57.27 (3) | Zn6iii—Zn11—Zn12ii | 109.82 (3) |
Zn6i—Zn2—Zn11viii | 142.83 (4) | Zn12xiii—Zn11—Zn12ii | 103.98 (4) |
Zn12—Zn2—Zn11viii | 61.17 (2) | Zn9—Zn11—Zn5 | 55.76 (2) |
Zn3—Zn2—Zn11viii | 125.95 (2) | Zn6iii—Zn11—Zn5 | 118.15 (3) |
Zn6—Zn2—Zn11xii | 142.83 (4) | Zn12xiii—Zn11—Zn5 | 131.76 (4) |
Zn6i—Zn2—Zn11xii | 57.28 (3) | Zn12ii—Zn11—Zn5 | 55.81 (2) |
Zn12—Zn2—Zn11xii | 61.17 (2) | Zn9—Zn11—Zn5v | 55.76 (2) |
Zn3—Zn2—Zn11xii | 125.95 (2) | Zn6iii—Zn11—Zn5v | 118.16 (3) |
Zn11viii—Zn2—Zn11xii | 101.32 (4) | Zn12xiii—Zn11—Zn5v | 55.81 (2) |
Zn6—Zn2—Ce3 | 69.03 (3) | Zn12ii—Zn11—Zn5v | 131.76 (4) |
Zn6i—Zn2—Ce3 | 152.56 (4) | Zn5—Zn11—Zn5v | 102.38 (4) |
Zn12—Zn2—Ce3 | 73.84 (2) | Zn9—Zn11—Zn2iii | 118.82 (3) |
Zn3—Zn2—Ce3 | 64.12 (2) | Zn6iii—Zn11—Zn2iii | 55.54 (2) |
Zn11viii—Zn2—Ce3 | 64.56 (3) | Zn12xiii—Zn11—Zn2iii | 130.87 (4) |
Zn11xii—Zn2—Ce3 | 133.19 (4) | Zn12ii—Zn11—Zn2iii | 55.64 (2) |
Zn6—Zn2—Ce3i | 152.56 (4) | Zn5—Zn11—Zn2iii | 77.42 (3) |
Zn6i—Zn2—Ce3i | 69.03 (3) | Zn5v—Zn11—Zn2iii | 170.94 (4) |
Zn12—Zn2—Ce3i | 73.84 (2) | Zn9—Zn11—Zn2xiv | 118.82 (3) |
Zn3—Zn2—Ce3i | 64.12 (2) | Zn6iii—Zn11—Zn2xiv | 55.54 (2) |
Zn11viii—Zn2—Ce3i | 133.19 (4) | Zn12xiii—Zn11—Zn2xiv | 55.64 (2) |
Zn11xii—Zn2—Ce3i | 64.56 (3) | Zn12ii—Zn11—Zn2xiv | 130.87 (4) |
Ce3—Zn2—Ce3i | 92.14 (3) | Zn5—Zn11—Zn2xiv | 170.94 (4) |
Zn6—Zn2—Ce2viii | 71.27 (3) | Zn5v—Zn11—Zn2xiv | 77.42 (3) |
Zn6i—Zn2—Ce2viii | 71.27 (3) | Zn2iii—Zn11—Zn2xiv | 101.32 (4) |
Zn12—Zn2—Ce2viii | 103.95 (4) | Zn9—Zn11—Ce3xiii | 66.74 (3) |
Zn3—Zn2—Ce2viii | 138.68 (4) | Zn6iii—Zn11—Ce3xiii | 179.46 (4) |
Zn11viii—Zn2—Ce2viii | 73.55 (3) | Zn12xiii—Zn11—Ce3xiii | 70.47 (2) |
Zn11xii—Zn2—Ce2viii | 73.55 (3) | Zn12ii—Zn11—Ce3xiii | 70.47 (2) |
Ce3—Zn2—Ce2viii | 133.147 (18) | Zn5—Zn11—Ce3xiii | 61.60 (2) |
Ce3i—Zn2—Ce2viii | 133.148 (17) | Zn5v—Zn11—Ce3xiii | 61.60 (2) |
Zn6—Zn2—Ce1 | 63.00 (3) | Zn2iii—Zn11—Ce3xiii | 124.65 (2) |
Zn6i—Zn2—Ce1 | 63.00 (3) | Zn2xiv—Zn11—Ce3xiii | 124.65 (2) |
Zn12—Zn2—Ce1 | 179.55 (3) | Zn9—Zn11—Ce3iii | 179.52 (4) |
Zn3—Zn2—Ce1 | 63.08 (3) | Zn6iii—Zn11—Ce3iii | 66.80 (3) |
Zn11viii—Zn2—Ce1 | 118.61 (2) | Zn12xiii—Zn11—Ce3iii | 70.189 (18) |
Zn11xii—Zn2—Ce1 | 118.61 (2) | Zn12ii—Zn11—Ce3iii | 70.189 (18) |
Ce3—Zn2—Ce1 | 106.45 (3) | Zn5—Zn11—Ce3iii | 124.40 (2) |
Ce3i—Zn2—Ce1 | 106.46 (3) | Zn5v—Zn11—Ce3iii | 124.40 (2) |
Ce2viii—Zn2—Ce1 | 75.60 (3) | Zn2iii—Zn11—Ce3iii | 60.95 (3) |
Zn4—Zn3—Zn8i | 116.69 (3) | Zn2xiv—Zn11—Ce3iii | 60.95 (3) |
Zn4—Zn3—Zn8 | 116.69 (3) | Ce3xiii—Zn11—Ce3iii | 113.74 (3) |
Zn8i—Zn3—Zn8 | 121.92 (5) | Zn9—Zn11—Ce2 | 65.51 (2) |
Zn4—Zn3—Zn2 | 105.66 (4) | Zn6iii—Zn11—Ce2 | 62.87 (3) |
Zn8i—Zn3—Zn2 | 93.22 (3) | Zn12xiii—Zn11—Ce2 | 166.11 (2) |
Zn8—Zn3—Zn2 | 93.22 (3) | Zn12ii—Zn11—Ce2 | 89.82 (2) |
Zn4—Zn3—Zn10i | 64.27 (3) | Zn5—Zn11—Ce2 | 57.96 (2) |
Zn8i—Zn3—Zn10i | 56.28 (3) | Zn5v—Zn11—Ce2 | 115.64 (3) |
Zn8—Zn3—Zn10i | 139.79 (4) | Zn2iii—Zn11—Ce2 | 56.42 (2) |
Zn2—Zn3—Zn10i | 126.27 (2) | Zn2xiv—Zn11—Ce2 | 113.76 (3) |
Zn4—Zn3—Zn10 | 64.27 (3) | Ce3xiii—Zn11—Ce2 | 116.75 (3) |
Zn8i—Zn3—Zn10 | 139.79 (4) | Ce3iii—Zn11—Ce2 | 114.14 (2) |
Zn8—Zn3—Zn10 | 56.28 (3) | Zn9—Zn11—Ce2v | 65.51 (2) |
Zn2—Zn3—Zn10 | 126.27 (3) | Zn6iii—Zn11—Ce2v | 62.87 (3) |
Zn10i—Zn3—Zn10 | 97.91 (4) | Zn12xiii—Zn11—Ce2v | 89.82 (2) |
Zn4—Zn3—Ce2 | 105.03 (4) | Zn12ii—Zn11—Ce2v | 166.11 (2) |
Zn8i—Zn3—Ce2 | 72.88 (3) | Zn5—Zn11—Ce2v | 115.64 (3) |
Zn8—Zn3—Ce2 | 72.88 (3) | Zn5v—Zn11—Ce2v | 57.96 (2) |
Zn2—Zn3—Ce2 | 149.31 (4) | Zn2iii—Zn11—Ce2v | 113.76 (3) |
Zn10i—Zn3—Ce2 | 68.70 (3) | Zn2xiv—Zn11—Ce2v | 56.42 (2) |
Zn10—Zn3—Ce2 | 68.70 (3) | Ce3xiii—Zn11—Ce2v | 116.75 (3) |
Zn4—Zn3—Ce3 | 66.55 (3) | Ce3iii—Zn11—Ce2v | 114.14 (2) |
Zn8i—Zn3—Ce3 | 155.71 (4) | Ce2—Zn11—Ce2v | 76.34 (3) |
Zn8—Zn3—Ce3 | 69.91 (3) | Zn5viii—Zn12—Zn5vi | 180.00 (3) |
Zn2—Zn3—Ce3 | 63.72 (2) | Zn5viii—Zn12—Zn2xv | 95.26 (3) |
Zn10i—Zn3—Ce3 | 130.54 (4) | Zn5vi—Zn12—Zn2xv | 84.74 (3) |
Zn10—Zn3—Ce3 | 64.37 (3) | Zn5viii—Zn12—Zn2 | 84.74 (3) |
Ce2—Zn3—Ce3 | 130.93 (2) | Zn5vi—Zn12—Zn2 | 95.26 (3) |
Zn4—Zn3—Ce3i | 66.55 (3) | Zn2xv—Zn12—Zn2 | 180.0 |
Zn8i—Zn3—Ce3i | 69.91 (3) | Zn5viii—Zn12—Zn11viii | 62.69 (2) |
Zn8—Zn3—Ce3i | 155.71 (4) | Zn5vi—Zn12—Zn11viii | 117.31 (2) |
Zn2—Zn3—Ce3i | 63.72 (2) | Zn2xv—Zn12—Zn11viii | 116.81 (2) |
Zn10i—Zn3—Ce3i | 64.37 (3) | Zn2—Zn12—Zn11viii | 63.19 (2) |
Zn10—Zn3—Ce3i | 130.54 (4) | Zn5viii—Zn12—Zn11vi | 117.31 (2) |
Ce2—Zn3—Ce3i | 130.93 (2) | Zn5vi—Zn12—Zn11vi | 62.69 (2) |
Ce3—Zn3—Ce3i | 91.73 (3) | Zn2xv—Zn12—Zn11vi | 63.19 (2) |
Zn4—Zn3—Ce1 | 173.51 (4) | Zn2—Zn12—Zn11vi | 116.81 (2) |
Zn8i—Zn3—Ce1 | 64.82 (3) | Zn11viii—Zn12—Zn11vi | 180.00 (3) |
Zn8—Zn3—Ce1 | 64.82 (3) | Zn5viii—Zn12—Zn11xii | 62.69 (2) |
Zn2—Zn3—Ce1 | 67.85 (3) | Zn5vi—Zn12—Zn11xii | 117.31 (2) |
Zn10i—Zn3—Ce1 | 119.15 (2) | Zn2xv—Zn12—Zn11xii | 116.81 (2) |
Zn10—Zn3—Ce1 | 119.15 (2) | Zn2—Zn12—Zn11xii | 63.19 (2) |
Ce2—Zn3—Ce1 | 81.46 (3) | Zn11viii—Zn12—Zn11xii | 103.97 (3) |
Ce3—Zn3—Ce1 | 109.32 (3) | Zn11vi—Zn12—Zn11xii | 76.03 (3) |
Ce3i—Zn3—Ce1 | 109.32 (3) | Zn5viii—Zn12—Zn11vii | 117.31 (2) |
Zn3—Zn4—Zn7vi | 116.96 (3) | Zn5vi—Zn12—Zn11vii | 62.69 (2) |
Zn3—Zn4—Zn7vii | 116.96 (3) | Zn2xv—Zn12—Zn11vii | 63.19 (2) |
Zn7vi—Zn4—Zn7vii | 121.84 (5) | Zn2—Zn12—Zn11vii | 116.81 (2) |
Zn3—Zn4—Zn5vi | 104.20 (4) | Zn11viii—Zn12—Zn11vii | 76.03 (3) |
Zn7vi—Zn4—Zn5vi | 93.35 (3) | Zn11vi—Zn12—Zn11vii | 103.97 (3) |
Zn7vii—Zn4—Zn5vi | 93.35 (3) | Zn11xii—Zn12—Zn11vii | 180.00 (3) |
Zn3—Zn4—Zn10 | 65.00 (3) | Zn5viii—Zn12—Ce3 | 121.04 (2) |
Zn7vi—Zn4—Zn10 | 140.18 (4) | Zn5vi—Zn12—Ce3 | 58.96 (2) |
Zn7vii—Zn4—Zn10 | 56.06 (3) | Zn2xv—Zn12—Ce3 | 121.259 (15) |
Zn5vi—Zn4—Zn10 | 125.74 (2) | Zn2—Zn12—Ce3 | 58.742 (15) |
Zn3—Zn4—Zn10i | 65.00 (3) | Zn11viii—Zn12—Ce3 | 59.87 (2) |
Zn7vi—Zn4—Zn10i | 56.06 (3) | Zn11vi—Zn12—Ce3 | 120.13 (2) |
Zn7vii—Zn4—Zn10i | 140.18 (4) | Zn11xii—Zn12—Ce3 | 120.53 (2) |
Zn5vi—Zn4—Zn10i | 125.74 (2) | Zn11vii—Zn12—Ce3 | 59.47 (2) |
Zn10—Zn4—Zn10i | 98.71 (4) | Zn5viii—Zn12—Ce3xvi | 58.96 (2) |
Zn3—Zn4—Ce4vi | 108.73 (4) | Zn5vi—Zn12—Ce3xvi | 121.04 (2) |
Zn7vi—Zn4—Ce4vi | 71.86 (3) | Zn2xv—Zn12—Ce3xvi | 58.742 (15) |
Zn7vii—Zn4—Ce4vi | 71.86 (3) | Zn2—Zn12—Ce3xvi | 121.258 (15) |
Zn5vi—Zn4—Ce4vi | 147.07 (4) | Zn11viii—Zn12—Ce3xvi | 59.47 (2) |
Zn10—Zn4—Ce4vi | 70.51 (2) | Zn11vi—Zn12—Ce3xvi | 120.53 (2) |
Zn10i—Zn4—Ce4vi | 70.51 (2) | Zn11xii—Zn12—Ce3xvi | 120.13 (2) |
Zn3—Zn4—Ce3i | 65.66 (2) | Zn11vii—Zn12—Ce3xvi | 59.87 (2) |
Zn7vi—Zn4—Ce3i | 70.32 (3) | Ce3—Zn12—Ce3xvi | 100.28 (2) |
Zn7vii—Zn4—Ce3i | 155.39 (4) | Zn5viii—Zn12—Ce3i | 121.04 (2) |
Zn5vi—Zn4—Ce3i | 63.31 (3) | Zn5vi—Zn12—Ce3i | 58.96 (2) |
Zn10—Zn4—Ce3i | 130.39 (4) | Zn2xv—Zn12—Ce3i | 121.258 (15) |
Zn10i—Zn4—Ce3i | 64.29 (3) | Zn2—Zn12—Ce3i | 58.742 (15) |
Ce4vi—Zn4—Ce3i | 132.053 (19) | Zn11viii—Zn12—Ce3i | 120.53 (2) |
Zn3—Zn4—Ce3 | 65.66 (2) | Zn11vi—Zn12—Ce3i | 59.47 (2) |
Zn7vi—Zn4—Ce3 | 155.39 (4) | Zn11xii—Zn12—Ce3i | 59.87 (2) |
Zn7vii—Zn4—Ce3 | 70.32 (3) | Zn11vii—Zn12—Ce3i | 120.13 (2) |
Zn5vi—Zn4—Ce3 | 63.31 (3) | Ce3—Zn12—Ce3i | 79.72 (2) |
Zn10—Zn4—Ce3 | 64.29 (3) | Ce3xvi—Zn12—Ce3i | 180.0 |
Zn10i—Zn4—Ce3 | 130.39 (4) | Zn5viii—Zn12—Ce3xv | 58.96 (2) |
Ce4vi—Zn4—Ce3 | 132.05 (2) | Zn5vi—Zn12—Ce3xv | 121.04 (2) |
Ce3i—Zn4—Ce3 | 90.92 (3) | Zn2xv—Zn12—Ce3xv | 58.742 (15) |
Zn3—Zn4—Ce1vi | 171.91 (4) | Zn2—Zn12—Ce3xv | 121.258 (15) |
Zn7vi—Zn4—Ce1vi | 64.90 (2) | Zn11viii—Zn12—Ce3xv | 120.13 (2) |
Zn7vii—Zn4—Ce1vi | 64.90 (2) | Zn11vi—Zn12—Ce3xv | 59.87 (2) |
Zn5vi—Zn4—Ce1vi | 67.71 (3) | Zn11xii—Zn12—Ce3xv | 59.47 (2) |
Zn10—Zn4—Ce1vi | 119.22 (3) | Zn11vii—Zn12—Ce3xv | 120.53 (2) |
Zn10i—Zn4—Ce1vi | 119.22 (3) | Ce3—Zn12—Ce3xv | 180.0 |
Ce4vi—Zn4—Ce1vi | 79.36 (2) | Ce3xvi—Zn12—Ce3xv | 79.72 (2) |
Ce3i—Zn4—Ce1vi | 109.15 (2) | Ce3i—Zn12—Ce3xv | 100.28 (2) |
Ce3—Zn4—Ce1vi | 109.16 (2) |
Symmetry codes: (i) x, y, z+1; (ii) −x+1/2, y−1/2, −z+1; (iii) x+1/2, −y+1/2, z; (iv) x+1/2, −y+1/2, z+1; (v) x, y, z−1; (vi) −x+1/2, y+1/2, −z+1; (vii) −x+1/2, y+1/2, −z; (viii) x−1/2, −y+1/2, z; (ix) −x, −y, −z; (x) −x, −y, −z+1; (xi) x−1/2, −y+1/2, z−1; (xii) x−1/2, −y+1/2, z+1; (xiii) −x+1/2, y−1/2, −z; (xiv) x+1/2, −y+1/2, z−1; (xv) −x, −y+1, −z+1; (xvi) −x, −y+1, −z. |
Pr7Zn21.09Si1.91 | Dx = 6.911 Mg m−3 |
Mr = 2418.86 | Mo Kα radiation, λ = 0.71073 Å |
Orthorhombic, Pbam | Cell parameters from 1395 reflections |
a = 15.361 (2) Å | θ = 2.7–29.2° |
b = 16.984 (2) Å | µ = 35.70 mm−1 |
c = 4.4555 (6) Å | T = 200 K |
V = 1162.4 (3) Å3 | Irregular, silver-grey |
Z = 2 | 0.04 × 0.03 × 0.02 mm |
F(000) = 2145 |
Bruker APEXII CCD diffractometer | 1284 reflections with I > 2σ(I) |
φ and ω scans | Rint = 0.075 |
Absorption correction: multi-scan (SADABS; Sheldrick, 2008) | θmax = 28.4°, θmin = 1.8° |
Tmin = 0.579, Tmax = 0.746 | h = −20→20 |
14240 measured reflections | k = −22→22 |
1630 independent reflections | l = −5→5 |
Refinement on F2 | 0 restraints |
Least-squares matrix: full | w = 1/[σ2(Fo2) + (0.014P)2] where P = (Fo2 + 2Fc2)/3 |
R[F2 > 2σ(F2)] = 0.028 | (Δ/σ)max < 0.001 |
wR(F2) = 0.050 | Δρmax = 1.77 e Å−3 |
S = 1.08 | Δρmin = −1.82 e Å−3 |
1630 reflections | Extinction correction: SHELXL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
95 parameters | Extinction coefficient: 0.000201 (19) |
Pr7Zn21.09Si1.91 | V = 1162.4 (3) Å3 |
Mr = 2418.86 | Z = 2 |
Orthorhombic, Pbam | Mo Kα radiation |
a = 15.361 (2) Å | µ = 35.70 mm−1 |
b = 16.984 (2) Å | T = 200 K |
c = 4.4555 (6) Å | 0.04 × 0.03 × 0.02 mm |
Bruker APEXII CCD diffractometer | 1630 independent reflections |
Absorption correction: multi-scan (SADABS; Sheldrick, 2008) | 1284 reflections with I > 2σ(I) |
Tmin = 0.579, Tmax = 0.746 | Rint = 0.075 |
14240 measured reflections |
R[F2 > 2σ(F2)] = 0.028 | 95 parameters |
wR(F2) = 0.050 | 0 restraints |
S = 1.08 | Δρmax = 1.77 e Å−3 |
1630 reflections | Δρmin = −1.82 e Å−3 |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Pr1 | 0.16438 (4) | 0.17980 (3) | 0.5000 | 0.00676 (13) | |
Pr2 | 0.41922 (4) | 0.26158 (3) | 0.5000 | 0.00981 (13) | |
Pr3 | 0.16574 (4) | 0.45419 (3) | 0.0000 | 0.00719 (13) | |
Pr4 | 0.0000 | 0.0000 | 0.5000 | 0.00884 (17) | |
Si1 | 0.02049 (18) | 0.14167 (14) | 0.0000 | 0.0075 (8) | 0.957 (7) |
Zn1 | 0.02049 (18) | 0.14167 (14) | 0.0000 | 0.0075 (8) | 0.043 (7) |
Zn2 | 0.07295 (8) | 0.35903 (7) | 0.5000 | 0.0109 (3) | |
Zn3 | 0.24847 (9) | 0.35265 (6) | 0.5000 | 0.0113 (3) | |
Zn4 | 0.29998 (8) | 0.49384 (7) | 0.5000 | 0.0106 (3) | |
Zn5 | 0.35265 (8) | 0.08105 (7) | 0.5000 | 0.0114 (3) | |
Zn6 | 0.07440 (8) | 0.28275 (6) | 0.0000 | 0.0089 (3) | |
Zn7 | 0.14987 (8) | 0.05204 (6) | 0.0000 | 0.0087 (3) | |
Zn8 | 0.25701 (8) | 0.28109 (6) | 0.0000 | 0.0085 (3) | |
Zn9 | 0.30302 (8) | 0.14075 (7) | 0.0000 | 0.0095 (3) | |
Zn10 | 0.36526 (8) | 0.40034 (7) | 0.0000 | 0.0101 (3) | |
Zn11 | 0.46548 (8) | 0.09805 (7) | 0.0000 | 0.0112 (3) | |
Zn12 | 0.0000 | 0.5000 | 0.5000 | 0.0117 (4) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pr1 | 0.0061 (3) | 0.0073 (3) | 0.0070 (3) | 0.0000 (2) | 0.000 | 0.000 |
Pr2 | 0.0066 (3) | 0.0139 (3) | 0.0089 (3) | −0.0009 (2) | 0.000 | 0.000 |
Pr3 | 0.0073 (3) | 0.0080 (3) | 0.0063 (3) | 0.0001 (2) | 0.000 | 0.000 |
Pr4 | 0.0076 (4) | 0.0109 (4) | 0.0081 (4) | −0.0020 (3) | 0.000 | 0.000 |
Si1 | 0.0067 (15) | 0.0073 (14) | 0.0085 (14) | 0.0008 (10) | 0.000 | 0.000 |
Zn1 | 0.0067 (15) | 0.0073 (14) | 0.0085 (14) | 0.0008 (10) | 0.000 | 0.000 |
Zn2 | 0.0156 (7) | 0.0102 (6) | 0.0071 (6) | −0.0027 (5) | 0.000 | 0.000 |
Zn3 | 0.0162 (7) | 0.0092 (6) | 0.0087 (6) | 0.0030 (5) | 0.000 | 0.000 |
Zn4 | 0.0092 (6) | 0.0141 (6) | 0.0086 (6) | −0.0039 (5) | 0.000 | 0.000 |
Zn5 | 0.0166 (7) | 0.0100 (6) | 0.0076 (6) | 0.0013 (5) | 0.000 | 0.000 |
Zn6 | 0.0094 (6) | 0.0078 (5) | 0.0093 (6) | 0.0008 (5) | 0.000 | 0.000 |
Zn7 | 0.0111 (7) | 0.0068 (5) | 0.0082 (6) | 0.0012 (5) | 0.000 | 0.000 |
Zn8 | 0.0102 (6) | 0.0073 (5) | 0.0081 (6) | 0.0003 (5) | 0.000 | 0.000 |
Zn9 | 0.0097 (7) | 0.0095 (6) | 0.0093 (6) | 0.0019 (5) | 0.000 | 0.000 |
Zn10 | 0.0082 (6) | 0.0085 (6) | 0.0135 (6) | −0.0001 (5) | 0.000 | 0.000 |
Zn11 | 0.0083 (6) | 0.0132 (6) | 0.0121 (6) | −0.0019 (5) | 0.000 | 0.000 |
Zn12 | 0.0096 (9) | 0.0129 (8) | 0.0127 (9) | 0.0002 (7) | 0.000 | 0.000 |
Pr1—Zn7 | 3.1178 (9) | Zn3—Pr3i | 3.0905 (9) |
Pr1—Zn7i | 3.1178 (9) | Zn4—Zn7v | 2.5560 (8) |
Pr1—Zn6 | 3.1512 (9) | Zn4—Zn7vi | 2.5560 (8) |
Pr1—Zn6i | 3.1513 (9) | Zn4—Zn5v | 2.7731 (18) |
Pr1—Zn9i | 3.1525 (10) | Zn4—Zn10 | 2.9138 (11) |
Pr1—Zn9 | 3.1525 (10) | Zn4—Zn10i | 2.9138 (11) |
Pr1—Zn8 | 3.1539 (9) | Zn4—Pr4v | 3.0743 (13) |
Pr1—Zn8i | 3.1539 (9) | Zn4—Pr3i | 3.1094 (10) |
Pr1—Zn1i | 3.204 (2) | Zn4—Pr1v | 3.2053 (13) |
Pr1—Si1i | 3.204 (2) | Zn5—Zn9 | 2.5636 (8) |
Pr1—Si1 | 3.204 (2) | Zn5—Zn9i | 2.5636 (8) |
Pr2—Zn3 | 3.0450 (14) | Zn5—Zn12viii | 2.6492 (13) |
Pr2—Zn2ii | 3.1261 (14) | Zn5—Zn4viii | 2.7731 (18) |
Pr2—Zn1iii | 3.1754 (19) | Zn5—Zn11 | 2.8372 (11) |
Pr2—Si1iii | 3.1754 (19) | Zn5—Zn11i | 2.8373 (11) |
Pr2—Zn1ii | 3.1754 (19) | Zn5—Pr3xiii | 3.1121 (9) |
Pr2—Si1ii | 3.1754 (19) | Zn5—Pr3viii | 3.1121 (9) |
Pr2—Zn5 | 3.2321 (13) | Zn6—Zn2iv | 2.5772 (8) |
Pr2—Zn10i | 3.3472 (10) | Zn6—Zn11vii | 2.6265 (17) |
Pr2—Zn10 | 3.3472 (10) | Zn6—Zn8 | 2.8051 (17) |
Pr2—Zn6iii | 3.3485 (10) | Zn6—Pr1iv | 3.1513 (9) |
Pr2—Zn6ii | 3.3485 (10) | Zn6—Pr2xi | 3.3485 (10) |
Pr2—Zn8 | 3.3587 (11) | Zn6—Pr2vii | 3.3485 (10) |
Pr3—Zn3 | 3.0905 (9) | Zn7—Zn4xiii | 2.5560 (8) |
Pr3—Zn3iv | 3.0906 (9) | Zn7—Zn4viii | 2.5560 (8) |
Pr3—Zn2 | 3.0994 (9) | Zn7—Zn10xiii | 2.5869 (16) |
Pr3—Zn2iv | 3.0994 (9) | Zn7—Zn9 | 2.7936 (17) |
Pr3—Zn4 | 3.1094 (10) | Zn7—Pr1iv | 3.1177 (9) |
Pr3—Zn4iv | 3.1094 (10) | Zn7—Pr3xiii | 3.2840 (14) |
Pr3—Zn5v | 3.1121 (9) | Zn7—Pr4iv | 3.3233 (10) |
Pr3—Zn5vi | 3.1121 (9) | Zn8—Zn9 | 2.4861 (16) |
Pr3—Zn11vi | 3.1674 (13) | Zn8—Zn3iv | 2.5411 (8) |
Pr3—Zn10 | 3.1983 (14) | Zn8—Zn10 | 2.6205 (16) |
Pr3—Zn11vii | 3.2015 (14) | Zn8—Pr1iv | 3.1539 (9) |
Pr3—Zn9vi | 3.2046 (13) | Zn8—Pr2iv | 3.3587 (10) |
Pr4—Zn4vii | 3.0743 (13) | Zn9—Zn5iv | 2.5636 (8) |
Pr4—Zn4viii | 3.0743 (13) | Zn9—Zn11 | 2.5987 (17) |
Pr4—Si1 | 3.2942 (18) | Zn9—Pr1iv | 3.1525 (10) |
Pr4—Zn1ix | 3.2942 (18) | Zn9—Pr3xiii | 3.2046 (13) |
Pr4—Zn1i | 3.2942 (18) | Zn9—Pr2iv | 3.5157 (10) |
Pr4—Si1i | 3.2942 (18) | Zn10—Zn1ii | 2.489 (3) |
Pr4—Si1ix | 3.2942 (18) | Zn10—Si1ii | 2.489 (3) |
Pr4—Zn1x | 3.2942 (18) | Zn10—Zn7vi | 2.5869 (16) |
Pr4—Si1x | 3.2942 (18) | Zn10—Zn4iv | 2.9138 (11) |
Pr4—Zn7ix | 3.3232 (10) | Zn10—Zn3iv | 2.9727 (12) |
Pr4—Zn7i | 3.3232 (10) | Zn10—Pr2iv | 3.3472 (10) |
Si1—Zn10vii | 2.489 (3) | Zn10—Pr4v | 3.4802 (9) |
Si1—Zn7 | 2.503 (3) | Zn11—Zn6ii | 2.6264 (17) |
Si1—Zn6 | 2.535 (3) | Zn11—Zn12xiii | 2.8314 (8) |
Si1—Pr2vii | 3.1754 (19) | Zn11—Zn12viii | 2.8314 (8) |
Si1—Pr2xi | 3.1754 (19) | Zn11—Zn5iv | 2.8373 (11) |
Si1—Pr1iv | 3.204 (2) | Zn11—Zn2ii | 2.8670 (11) |
Si1—Pr4iv | 3.2942 (18) | Zn11—Zn2xiv | 2.8670 (11) |
Zn2—Zn6i | 2.5772 (8) | Zn11—Pr3xiii | 3.1674 (13) |
Zn2—Zn6 | 2.5772 (8) | Zn11—Pr3ii | 3.2016 (14) |
Zn2—Zn12 | 2.6434 (12) | Zn11—Pr2iv | 3.6307 (11) |
Zn2—Zn3 | 2.6983 (18) | Zn12—Zn2xv | 2.6435 (12) |
Zn2—Zn11vii | 2.8670 (11) | Zn12—Zn5vii | 2.6492 (13) |
Zn2—Zn11xii | 2.8670 (11) | Zn12—Zn5v | 2.6492 (13) |
Zn2—Pr3i | 3.0994 (9) | Zn12—Zn11vii | 2.8314 (8) |
Zn2—Pr2vii | 3.1261 (14) | Zn12—Zn11v | 2.8314 (8) |
Zn3—Zn4 | 2.5251 (16) | Zn12—Zn11xii | 2.8314 (8) |
Zn3—Zn8i | 2.5411 (8) | Zn12—Zn11vi | 2.8314 (8) |
Zn3—Zn8 | 2.5411 (8) | Zn12—Pr3xvi | 3.4713 (6) |
Zn3—Zn10i | 2.9727 (12) | Zn12—Pr3i | 3.4713 (6) |
Zn3—Zn10 | 2.9727 (12) | Zn12—Pr3xv | 3.4713 (6) |
Zn7—Pr1—Zn7i | 91.21 (3) | Zn12viii—Zn5—Zn4viii | 116.41 (5) |
Zn7—Pr1—Zn6 | 81.35 (3) | Zn9—Zn5—Zn11 | 57.25 (3) |
Zn7i—Pr1—Zn6 | 149.31 (4) | Zn9i—Zn5—Zn11 | 145.46 (6) |
Zn7—Pr1—Zn6i | 149.31 (4) | Zn12viii—Zn5—Zn11 | 62.03 (3) |
Zn7i—Pr1—Zn6i | 81.35 (3) | Zn4viii—Zn5—Zn11 | 124.80 (3) |
Zn6—Pr1—Zn6i | 89.97 (3) | Zn9—Zn5—Zn11i | 145.46 (6) |
Zn7—Pr1—Zn9i | 114.00 (3) | Zn9i—Zn5—Zn11i | 57.26 (3) |
Zn7i—Pr1—Zn9i | 52.91 (3) | Zn12viii—Zn5—Zn11i | 62.03 (3) |
Zn6—Pr1—Zn9i | 155.87 (3) | Zn4viii—Zn5—Zn11i | 124.80 (3) |
Zn6i—Pr1—Zn9i | 85.04 (2) | Zn11—Zn5—Zn11i | 103.47 (6) |
Zn7—Pr1—Zn9 | 52.91 (3) | Zn9—Zn5—Pr3xiii | 67.96 (3) |
Zn7i—Pr1—Zn9 | 114.00 (3) | Zn9i—Zn5—Pr3xiii | 150.33 (5) |
Zn6—Pr1—Zn9 | 85.04 (2) | Zn12viii—Zn5—Pr3xiii | 73.61 (3) |
Zn6i—Pr1—Zn9 | 155.87 (3) | Zn4viii—Zn5—Pr3xiii | 63.48 (3) |
Zn9i—Pr1—Zn9 | 89.93 (4) | Zn11—Zn5—Pr3xiii | 64.14 (3) |
Zn7—Pr1—Zn8 | 84.67 (2) | Zn11i—Zn5—Pr3xiii | 133.47 (5) |
Zn7i—Pr1—Zn8 | 156.43 (4) | Zn9—Zn5—Pr3viii | 150.33 (5) |
Zn6—Pr1—Zn8 | 52.83 (3) | Zn9i—Zn5—Pr3viii | 67.96 (3) |
Zn6i—Pr1—Zn8 | 113.24 (3) | Zn12viii—Zn5—Pr3viii | 73.61 (3) |
Zn9i—Pr1—Zn8 | 108.01 (3) | Zn4viii—Zn5—Pr3viii | 63.48 (3) |
Zn9—Pr1—Zn8 | 46.44 (3) | Zn11—Zn5—Pr3viii | 133.47 (5) |
Zn7—Pr1—Zn8i | 156.43 (4) | Zn11i—Zn5—Pr3viii | 64.14 (3) |
Zn7i—Pr1—Zn8i | 84.67 (2) | Pr3xiii—Zn5—Pr3viii | 91.42 (3) |
Zn6—Pr1—Zn8i | 113.24 (3) | Zn9—Zn5—Pr2 | 73.67 (4) |
Zn6i—Pr1—Zn8i | 52.83 (3) | Zn9i—Zn5—Pr2 | 73.68 (4) |
Zn9i—Pr1—Zn8i | 46.44 (3) | Zn12viii—Zn5—Pr2 | 102.86 (4) |
Zn9—Pr1—Zn8i | 108.01 (3) | Zn4viii—Zn5—Pr2 | 140.73 (5) |
Zn8—Pr1—Zn8i | 89.88 (3) | Zn11—Zn5—Pr2 | 73.16 (3) |
Zn7—Pr1—Zn1i | 107.87 (5) | Zn11i—Zn5—Pr2 | 73.16 (3) |
Zn7i—Pr1—Zn1i | 46.63 (5) | Pr3xiii—Zn5—Pr2 | 133.28 (2) |
Zn6—Pr1—Zn1i | 107.52 (5) | Pr3viii—Zn5—Pr2 | 133.28 (2) |
Zn6i—Pr1—Zn1i | 47.01 (5) | Zn9—Zn5—Pr1 | 62.89 (3) |
Zn9i—Pr1—Zn1i | 86.11 (4) | Zn9i—Zn5—Pr1 | 62.89 (3) |
Zn9—Pr1—Zn1i | 156.17 (5) | Zn12viii—Zn5—Pr1 | 178.80 (5) |
Zn8—Pr1—Zn1i | 155.85 (5) | Zn4viii—Zn5—Pr1 | 62.39 (4) |
Zn8i—Pr1—Zn1i | 86.00 (4) | Zn11—Zn5—Pr1 | 118.52 (3) |
Zn7—Pr1—Si1i | 107.87 (5) | Zn11i—Zn5—Pr1 | 118.52 (3) |
Zn7i—Pr1—Si1i | 46.63 (5) | Pr3xiii—Zn5—Pr1 | 105.59 (3) |
Zn6—Pr1—Si1i | 107.52 (5) | Pr3viii—Zn5—Pr1 | 105.59 (3) |
Zn6i—Pr1—Si1i | 47.01 (5) | Pr2—Zn5—Pr1 | 78.33 (3) |
Zn9i—Pr1—Si1i | 86.11 (4) | Si1—Zn6—Zn2iv | 118.18 (4) |
Zn9—Pr1—Si1i | 156.17 (5) | Si1—Zn6—Zn2 | 118.18 (4) |
Zn8—Pr1—Si1i | 155.85 (5) | Zn2iv—Zn6—Zn2 | 119.63 (6) |
Zn8i—Pr1—Si1i | 86.00 (4) | Si1—Zn6—Zn11vii | 121.36 (8) |
Zn1i—Pr1—Si1i | 0.00 (11) | Zn2iv—Zn6—Zn11vii | 66.86 (4) |
Zn7—Pr1—Si1 | 46.63 (5) | Zn2—Zn6—Zn11vii | 66.86 (4) |
Zn7i—Pr1—Si1 | 107.87 (5) | Si1—Zn6—Zn8 | 108.49 (7) |
Zn6—Pr1—Si1 | 47.01 (5) | Zn2iv—Zn6—Zn8 | 90.79 (4) |
Zn6i—Pr1—Si1 | 107.52 (5) | Zn2—Zn6—Zn8 | 90.79 (4) |
Zn9i—Pr1—Si1 | 156.17 (5) | Zn11vii—Zn6—Zn8 | 130.15 (6) |
Zn9—Pr1—Si1 | 86.11 (4) | Si1—Zn6—Pr1 | 67.59 (5) |
Zn8—Pr1—Si1 | 86.00 (4) | Zn2iv—Zn6—Pr1 | 153.36 (5) |
Zn8i—Pr1—Si1 | 155.85 (5) | Zn2—Zn6—Pr1 | 70.83 (3) |
Zn1i—Pr1—Si1 | 88.10 (7) | Zn11vii—Zn6—Pr1 | 135.000 (17) |
Si1i—Pr1—Si1 | 88.10 (7) | Zn8—Zn6—Pr1 | 63.63 (3) |
Zn3—Pr2—Zn2ii | 169.59 (4) | Si1—Zn6—Pr1iv | 67.59 (5) |
Zn3—Pr2—Zn1iii | 99.16 (5) | Zn2iv—Zn6—Pr1iv | 70.83 (3) |
Zn2ii—Pr2—Zn1iii | 88.22 (5) | Zn2—Zn6—Pr1iv | 153.36 (5) |
Zn3—Pr2—Si1iii | 99.16 (5) | Zn11vii—Zn6—Pr1iv | 135.000 (17) |
Zn2ii—Pr2—Si1iii | 88.22 (5) | Zn8—Zn6—Pr1iv | 63.63 (3) |
Zn1iii—Pr2—Si1iii | 0.00 (8) | Pr1—Zn6—Pr1iv | 89.97 (3) |
Zn3—Pr2—Zn1ii | 99.16 (5) | Si1—Zn6—Pr3 | 173.34 (8) |
Zn2ii—Pr2—Zn1ii | 88.22 (5) | Zn2iv—Zn6—Pr3 | 63.31 (3) |
Zn1iii—Pr2—Zn1ii | 89.11 (7) | Zn2—Zn6—Pr3 | 63.31 (3) |
Si1iii—Pr2—Zn1ii | 89.11 (7) | Zn11vii—Zn6—Pr3 | 65.30 (4) |
Zn3—Pr2—Si1ii | 99.16 (5) | Zn8—Zn6—Pr3 | 64.85 (3) |
Zn2ii—Pr2—Si1ii | 88.22 (5) | Pr1—Zn6—Pr3 | 108.03 (3) |
Zn1iii—Pr2—Si1ii | 89.11 (7) | Pr1iv—Zn6—Pr3 | 108.03 (3) |
Si1iii—Pr2—Si1ii | 89.11 (7) | Si1—Zn6—Pr2xi | 63.57 (5) |
Zn1ii—Pr2—Si1ii | 0.00 (8) | Zn2iv—Zn6—Pr2xi | 62.08 (3) |
Zn3—Pr2—Zn5 | 102.09 (4) | Zn2—Zn6—Pr2xi | 133.00 (5) |
Zn2ii—Pr2—Zn5 | 67.50 (3) | Zn11vii—Zn6—Pr2xi | 73.73 (3) |
Zn1iii—Pr2—Zn5 | 130.23 (4) | Zn8—Zn6—Pr2xi | 135.20 (2) |
Si1iii—Pr2—Zn5 | 130.23 (4) | Pr1—Zn6—Pr2xi | 131.13 (4) |
Zn1ii—Pr2—Zn5 | 130.23 (4) | Pr1iv—Zn6—Pr2xi | 73.57 (2) |
Si1ii—Pr2—Zn5 | 130.23 (4) | Pr3—Zn6—Pr2xi | 120.77 (3) |
Zn3—Pr2—Zn10i | 55.18 (2) | Si1—Zn6—Pr2vii | 63.57 (5) |
Zn2ii—Pr2—Zn10i | 130.42 (2) | Zn2iv—Zn6—Pr2vii | 133.00 (5) |
Zn1iii—Pr2—Zn10i | 44.77 (5) | Zn2—Zn6—Pr2vii | 62.08 (3) |
Si1iii—Pr2—Zn10i | 44.77 (5) | Zn11vii—Zn6—Pr2vii | 73.73 (3) |
Zn1ii—Pr2—Zn10i | 102.94 (4) | Zn8—Zn6—Pr2vii | 135.20 (2) |
Si1ii—Pr2—Zn10i | 102.94 (4) | Pr1—Zn6—Pr2vii | 73.57 (2) |
Zn5—Pr2—Zn10i | 126.13 (3) | Pr1iv—Zn6—Pr2vii | 131.13 (4) |
Zn3—Pr2—Zn10 | 55.18 (2) | Pr3—Zn6—Pr2vii | 120.77 (3) |
Zn2ii—Pr2—Zn10 | 130.42 (2) | Pr2xi—Zn6—Pr2vii | 83.41 (3) |
Zn1iii—Pr2—Zn10 | 102.94 (4) | Si1—Zn7—Zn4xiii | 118.32 (4) |
Si1iii—Pr2—Zn10 | 102.94 (4) | Si1—Zn7—Zn4viii | 118.32 (4) |
Zn1ii—Pr2—Zn10 | 44.77 (5) | Zn4xiii—Zn7—Zn4viii | 121.28 (6) |
Si1ii—Pr2—Zn10 | 44.77 (5) | Si1—Zn7—Zn10xiii | 122.30 (8) |
Zn5—Pr2—Zn10 | 126.13 (3) | Zn4xiii—Zn7—Zn10xiii | 69.02 (4) |
Zn10i—Pr2—Zn10 | 83.45 (3) | Zn4viii—Zn7—Zn10xiii | 69.02 (4) |
Zn3—Pr2—Zn6iii | 136.672 (17) | Si1—Zn7—Zn9 | 109.91 (7) |
Zn2ii—Pr2—Zn6iii | 46.76 (2) | Zn4xiii—Zn7—Zn9 | 87.40 (4) |
Zn1iii—Pr2—Zn6iii | 45.64 (5) | Zn4viii—Zn7—Zn9 | 87.40 (4) |
Si1iii—Pr2—Zn6iii | 45.64 (5) | Zn10xiii—Zn7—Zn9 | 127.79 (6) |
Zn1ii—Pr2—Zn6iii | 103.55 (5) | Si1—Zn7—Pr1iv | 68.50 (4) |
Si1ii—Pr2—Zn6iii | 103.55 (5) | Zn4xiii—Zn7—Pr1iv | 67.96 (3) |
Zn5—Pr2—Zn6iii | 90.68 (3) | Zn4viii—Zn7—Pr1iv | 150.50 (5) |
Zn10i—Pr2—Zn6iii | 83.79 (2) | Zn10xiii—Zn7—Pr1iv | 134.390 (17) |
Zn10—Pr2—Zn6iii | 141.02 (3) | Zn9—Zn7—Pr1iv | 64.18 (3) |
Zn3—Pr2—Zn6ii | 136.672 (17) | Si1—Zn7—Pr1 | 68.50 (4) |
Zn2ii—Pr2—Zn6ii | 46.76 (2) | Zn4xiii—Zn7—Pr1 | 150.50 (5) |
Zn1iii—Pr2—Zn6ii | 103.55 (5) | Zn4viii—Zn7—Pr1 | 67.96 (3) |
Si1iii—Pr2—Zn6ii | 103.55 (5) | Zn10xiii—Zn7—Pr1 | 134.391 (17) |
Zn1ii—Pr2—Zn6ii | 45.64 (5) | Zn9—Zn7—Pr1 | 64.18 (3) |
Si1ii—Pr2—Zn6ii | 45.64 (5) | Pr1iv—Zn7—Pr1 | 91.21 (3) |
Zn5—Pr2—Zn6ii | 90.68 (3) | Si1—Zn7—Pr3xiii | 172.95 (7) |
Zn10i—Pr2—Zn6ii | 141.02 (3) | Zn4xiii—Zn7—Pr3xiii | 62.89 (3) |
Zn10—Pr2—Zn6ii | 83.79 (2) | Zn4viii—Zn7—Pr3xiii | 62.89 (3) |
Zn6iii—Pr2—Zn6ii | 83.41 (3) | Zn10xiii—Zn7—Pr3xiii | 64.75 (4) |
Zn3—Pr2—Zn8 | 46.44 (2) | Zn9—Zn7—Pr3xiii | 63.04 (4) |
Zn2ii—Pr2—Zn8 | 128.68 (2) | Pr1iv—Zn7—Pr3xiii | 106.89 (3) |
Zn1iii—Pr2—Zn8 | 141.06 (5) | Pr1—Zn7—Pr3xiii | 106.89 (3) |
Si1iii—Pr2—Zn8 | 141.06 (5) | Si1—Zn7—Pr4iv | 67.16 (5) |
Zn1ii—Pr2—Zn8 | 81.20 (4) | Zn4xiii—Zn7—Pr4iv | 61.43 (3) |
Si1ii—Pr2—Zn8 | 81.20 (4) | Zn4viii—Zn7—Pr4iv | 133.65 (5) |
Zn5—Pr2—Zn8 | 81.89 (3) | Zn10xiii—Zn7—Pr4iv | 70.91 (3) |
Zn10i—Pr2—Zn8 | 100.85 (3) | Zn9—Zn7—Pr4iv | 136.619 (17) |
Zn10—Pr2—Zn8 | 46.00 (3) | Pr1iv—Zn7—Pr4iv | 75.855 (17) |
Zn6iii—Pr2—Zn8 | 172.56 (3) | Pr1—Zn7—Pr4iv | 135.53 (4) |
Zn6ii—Pr2—Zn8 | 96.26 (2) | Pr3xiii—Zn7—Pr4iv | 117.57 (3) |
Zn3—Pr3—Zn3iv | 92.25 (4) | Si1—Zn7—Pr4 | 67.16 (5) |
Zn3—Pr3—Zn2 | 51.69 (3) | Zn4xiii—Zn7—Pr4 | 133.65 (5) |
Zn3iv—Pr3—Zn2 | 114.60 (3) | Zn4viii—Zn7—Pr4 | 61.43 (3) |
Zn3—Pr3—Zn2iv | 114.60 (3) | Zn10xiii—Zn7—Pr4 | 70.91 (3) |
Zn3iv—Pr3—Zn2iv | 51.69 (3) | Zn9—Zn7—Pr4 | 136.619 (17) |
Zn2—Pr3—Zn2iv | 91.90 (4) | Pr1iv—Zn7—Pr4 | 135.53 (4) |
Zn3—Pr3—Zn4 | 48.07 (3) | Pr1—Zn7—Pr4 | 75.855 (17) |
Zn3iv—Pr3—Zn4 | 111.38 (4) | Pr3xiii—Zn7—Pr4 | 117.57 (3) |
Zn2—Pr3—Zn4 | 84.43 (3) | Pr4iv—Zn7—Pr4 | 84.19 (3) |
Zn2iv—Pr3—Zn4 | 158.89 (4) | Zn9—Zn8—Zn3iv | 118.24 (3) |
Zn3—Pr3—Zn4iv | 111.38 (4) | Zn9—Zn8—Zn3 | 118.25 (3) |
Zn3iv—Pr3—Zn4iv | 48.07 (3) | Zn3iv—Zn8—Zn3 | 122.49 (6) |
Zn2—Pr3—Zn4iv | 158.89 (4) | Zn9—Zn8—Zn10 | 124.10 (6) |
Zn2iv—Pr3—Zn4iv | 84.43 (3) | Zn3iv—Zn8—Zn10 | 70.31 (4) |
Zn4—Pr3—Zn4iv | 91.53 (4) | Zn3—Zn8—Zn10 | 70.31 (4) |
Zn3—Pr3—Zn5v | 84.70 (3) | Zn9—Zn8—Zn6 | 107.09 (5) |
Zn3iv—Pr3—Zn5v | 159.99 (4) | Zn3iv—Zn8—Zn6 | 86.77 (4) |
Zn2—Pr3—Zn5v | 78.74 (3) | Zn3—Zn8—Zn6 | 86.76 (4) |
Zn2iv—Pr3—Zn5v | 146.49 (4) | Zn10—Zn8—Zn6 | 128.81 (5) |
Zn4—Pr3—Zn5v | 52.94 (3) | Zn9—Zn8—Pr1 | 66.75 (3) |
Zn4iv—Pr3—Zn5v | 115.03 (3) | Zn3iv—Zn8—Pr1 | 148.96 (6) |
Zn3—Pr3—Zn5vi | 159.99 (4) | Zn3—Zn8—Pr1 | 67.56 (3) |
Zn3iv—Pr3—Zn5vi | 84.70 (3) | Zn10—Zn8—Pr1 | 135.060 (17) |
Zn2—Pr3—Zn5vi | 146.49 (4) | Zn6—Zn8—Pr1 | 63.54 (3) |
Zn2iv—Pr3—Zn5vi | 78.74 (3) | Zn9—Zn8—Pr1iv | 66.75 (3) |
Zn4—Pr3—Zn5vi | 115.03 (3) | Zn3iv—Zn8—Pr1iv | 67.57 (3) |
Zn4iv—Pr3—Zn5vi | 52.94 (3) | Zn3—Zn8—Pr1iv | 148.96 (6) |
Zn5v—Pr3—Zn5vi | 91.42 (3) | Zn10—Zn8—Pr1iv | 135.061 (17) |
Zn3—Pr3—Zn11vi | 133.795 (19) | Zn6—Zn8—Pr1iv | 63.54 (3) |
Zn3iv—Pr3—Zn11vi | 133.795 (18) | Pr1—Zn8—Pr1iv | 89.88 (3) |
Zn2—Pr3—Zn11vi | 96.29 (3) | Zn9—Zn8—Pr3 | 171.02 (6) |
Zn2iv—Pr3—Zn11vi | 96.29 (3) | Zn3iv—Zn8—Pr3 | 63.00 (3) |
Zn4—Pr3—Zn11vi | 104.77 (3) | Zn3—Zn8—Pr3 | 63.00 (3) |
Zn4iv—Pr3—Zn11vi | 104.77 (3) | Zn10—Zn8—Pr3 | 64.88 (4) |
Zn5v—Pr3—Zn11vi | 53.71 (2) | Zn6—Zn8—Pr3 | 63.93 (3) |
Zn5vi—Pr3—Zn11vi | 53.71 (2) | Pr1—Zn8—Pr3 | 107.35 (3) |
Zn3—Pr3—Zn10 | 56.39 (3) | Pr1iv—Zn8—Pr3 | 107.35 (3) |
Zn3iv—Pr3—Zn10 | 56.39 (3) | Zn9—Zn8—Pr2 | 72.21 (3) |
Zn2—Pr3—Zn10 | 106.95 (3) | Zn3iv—Zn8—Pr2 | 131.83 (5) |
Zn2iv—Pr3—Zn10 | 106.95 (3) | Zn3—Zn8—Pr2 | 60.27 (3) |
Zn4—Pr3—Zn10 | 55.00 (2) | Zn10—Zn8—Pr2 | 66.77 (3) |
Zn4iv—Pr3—Zn10 | 55.00 (2) | Zn6—Zn8—Pr2 | 137.971 (17) |
Zn5v—Pr3—Zn10 | 106.55 (3) | Pr1—Zn8—Pr2 | 79.186 (19) |
Zn5vi—Pr3—Zn10 | 106.55 (3) | Pr1iv—Zn8—Pr2 | 138.54 (4) |
Zn11vi—Pr3—Zn10 | 146.14 (4) | Pr3—Zn8—Pr2 | 114.10 (3) |
Zn3—Pr3—Zn11vii | 103.91 (3) | Zn9—Zn8—Pr2iv | 72.21 (3) |
Zn3iv—Pr3—Zn11vii | 103.91 (3) | Zn3iv—Zn8—Pr2iv | 60.26 (3) |
Zn2—Pr3—Zn11vii | 54.10 (2) | Zn3—Zn8—Pr2iv | 131.83 (5) |
Zn2iv—Pr3—Zn11vii | 54.10 (2) | Zn10—Zn8—Pr2iv | 66.77 (3) |
Zn4—Pr3—Zn11vii | 134.203 (19) | Zn6—Zn8—Pr2iv | 137.971 (17) |
Zn4iv—Pr3—Zn11vii | 134.203 (19) | Pr1—Zn8—Pr2iv | 138.54 (4) |
Zn5v—Pr3—Zn11vii | 96.01 (3) | Pr1iv—Zn8—Pr2iv | 79.186 (18) |
Zn5vi—Pr3—Zn11vii | 96.01 (3) | Pr3—Zn8—Pr2iv | 114.10 (3) |
Zn11vi—Pr3—Zn11vii | 66.57 (4) | Pr2—Zn8—Pr2iv | 83.10 (3) |
Zn10—Pr3—Zn11vii | 147.30 (3) | Zn8—Zn9—Zn5 | 117.63 (3) |
Zn3—Pr3—Zn9vi | 119.35 (3) | Zn8—Zn9—Zn5iv | 117.63 (3) |
Zn3iv—Pr3—Zn9vi | 119.35 (3) | Zn5—Zn9—Zn5iv | 120.69 (6) |
Zn2—Pr3—Zn9vi | 125.76 (2) | Zn8—Zn9—Zn11 | 122.72 (6) |
Zn2iv—Pr3—Zn9vi | 125.76 (2) | Zn5—Zn9—Zn11 | 66.68 (4) |
Zn4—Pr3—Zn9vi | 71.73 (3) | Zn5iv—Zn9—Zn11 | 66.68 (4) |
Zn4iv—Pr3—Zn9vi | 71.73 (3) | Zn8—Zn9—Zn7 | 106.12 (5) |
Zn5v—Pr3—Zn9vi | 47.860 (19) | Zn5—Zn9—Zn7 | 92.13 (4) |
Zn5vi—Pr3—Zn9vi | 47.860 (19) | Zn5iv—Zn9—Zn7 | 92.13 (4) |
Zn11vi—Pr3—Zn9vi | 48.13 (3) | Zn11—Zn9—Zn7 | 131.16 (6) |
Zn10—Pr3—Zn9vi | 98.00 (3) | Zn8—Zn9—Pr1iv | 66.81 (3) |
Zn11vii—Pr3—Zn9vi | 114.70 (3) | Zn5—Zn9—Pr1iv | 153.92 (5) |
Zn4vii—Pr4—Zn4viii | 180.0 | Zn5iv—Zn9—Pr1iv | 70.73 (3) |
Zn4vii—Pr4—Si1 | 94.05 (5) | Zn11—Zn9—Pr1iv | 135.026 (18) |
Zn4viii—Pr4—Si1 | 85.95 (5) | Zn7—Zn9—Pr1iv | 62.91 (3) |
Zn4vii—Pr4—Zn1ix | 85.95 (5) | Zn8—Zn9—Pr1 | 66.81 (3) |
Zn4viii—Pr4—Zn1ix | 94.05 (5) | Zn5—Zn9—Pr1 | 70.73 (3) |
Si1—Pr4—Zn1ix | 94.89 (6) | Zn5iv—Zn9—Pr1 | 153.92 (5) |
Zn4vii—Pr4—Zn1i | 94.05 (5) | Zn11—Zn9—Pr1 | 135.026 (18) |
Zn4viii—Pr4—Zn1i | 85.95 (5) | Zn7—Zn9—Pr1 | 62.91 (3) |
Si1—Pr4—Zn1i | 85.11 (6) | Pr1iv—Zn9—Pr1 | 89.93 (4) |
Zn1ix—Pr4—Zn1i | 180.00 (9) | Zn8—Zn9—Pr3xiii | 172.09 (6) |
Zn4vii—Pr4—Si1i | 94.05 (5) | Zn5—Zn9—Pr3xiii | 64.18 (3) |
Zn4viii—Pr4—Si1i | 85.95 (5) | Zn5iv—Zn9—Pr3xiii | 64.18 (3) |
Si1—Pr4—Si1i | 85.11 (6) | Zn11—Zn9—Pr3xiii | 65.18 (4) |
Zn1ix—Pr4—Si1i | 180.00 (9) | Zn7—Zn9—Pr3xiii | 65.98 (4) |
Zn1i—Pr4—Si1i | 0.00 (9) | Pr1iv—Zn9—Pr3xiii | 108.01 (3) |
Zn4vii—Pr4—Si1ix | 85.95 (5) | Pr1—Zn9—Pr3xiii | 108.01 (3) |
Zn4viii—Pr4—Si1ix | 94.05 (5) | Zn8—Zn9—Pr2iv | 65.46 (3) |
Si1—Pr4—Si1ix | 94.89 (6) | Zn5—Zn9—Pr2iv | 129.09 (5) |
Zn1ix—Pr4—Si1ix | 0.00 (6) | Zn5iv—Zn9—Pr2iv | 61.92 (3) |
Zn1i—Pr4—Si1ix | 180.0 | Zn11—Zn9—Pr2iv | 71.06 (3) |
Si1i—Pr4—Si1ix | 180.0 | Zn7—Zn9—Pr2iv | 137.93 (2) |
Zn4vii—Pr4—Zn1x | 85.95 (5) | Pr1iv—Zn9—Pr2iv | 76.844 (19) |
Zn4viii—Pr4—Zn1x | 94.05 (5) | Pr1—Zn9—Pr2iv | 131.91 (4) |
Si1—Pr4—Zn1x | 180.0 | Pr3xiii—Zn9—Pr2iv | 120.07 (3) |
Zn1ix—Pr4—Zn1x | 85.10 (6) | Zn8—Zn9—Pr2 | 65.46 (3) |
Zn1i—Pr4—Zn1x | 94.90 (6) | Zn5—Zn9—Pr2 | 61.92 (3) |
Si1i—Pr4—Zn1x | 94.90 (6) | Zn5iv—Zn9—Pr2 | 129.09 (5) |
Si1ix—Pr4—Zn1x | 85.10 (6) | Zn11—Zn9—Pr2 | 71.06 (3) |
Zn4vii—Pr4—Si1x | 85.95 (5) | Zn7—Zn9—Pr2 | 137.93 (2) |
Zn4viii—Pr4—Si1x | 94.05 (5) | Pr1iv—Zn9—Pr2 | 131.91 (4) |
Si1—Pr4—Si1x | 180.0 | Pr1—Zn9—Pr2 | 76.842 (19) |
Zn1ix—Pr4—Si1x | 85.10 (6) | Pr3xiii—Zn9—Pr2 | 120.08 (3) |
Zn1i—Pr4—Si1x | 94.90 (6) | Pr2iv—Zn9—Pr2 | 78.64 (3) |
Si1i—Pr4—Si1x | 94.90 (6) | Zn1ii—Zn10—Si1ii | 0.00 (11) |
Si1ix—Pr4—Si1x | 85.10 (6) | Zn1ii—Zn10—Zn7vi | 111.81 (8) |
Zn1x—Pr4—Si1x | 0.00 (11) | Si1ii—Zn10—Zn7vi | 111.81 (8) |
Zn4vii—Pr4—Zn7ix | 46.898 (19) | Zn1ii—Zn10—Zn8 | 112.73 (8) |
Zn4viii—Pr4—Zn7ix | 133.102 (19) | Si1ii—Zn10—Zn8 | 112.73 (8) |
Si1—Pr4—Zn7ix | 78.88 (4) | Zn7vi—Zn10—Zn8 | 135.46 (6) |
Zn1ix—Pr4—Zn7ix | 44.45 (5) | Zn1ii—Zn10—Zn4 | 119.07 (5) |
Zn1i—Pr4—Zn7ix | 135.55 (5) | Si1ii—Zn10—Zn4 | 119.07 (5) |
Si1i—Pr4—Zn7ix | 135.55 (5) | Zn7vi—Zn10—Zn4 | 54.99 (3) |
Si1ix—Pr4—Zn7ix | 44.45 (5) | Zn8—Zn10—Zn4 | 101.70 (4) |
Zn1x—Pr4—Zn7ix | 101.12 (4) | Zn1ii—Zn10—Zn4iv | 119.07 (5) |
Si1x—Pr4—Zn7ix | 101.12 (4) | Si1ii—Zn10—Zn4iv | 119.07 (5) |
Zn4vii—Pr4—Zn7i | 133.102 (19) | Zn7vi—Zn10—Zn4iv | 54.99 (3) |
Zn4viii—Pr4—Zn7i | 46.898 (19) | Zn8—Zn10—Zn4iv | 101.70 (4) |
Si1—Pr4—Zn7i | 101.12 (4) | Zn4—Zn10—Zn4iv | 99.73 (5) |
Zn1ix—Pr4—Zn7i | 135.55 (5) | Zn1ii—Zn10—Zn3iv | 120.00 (4) |
Zn1i—Pr4—Zn7i | 44.45 (5) | Si1ii—Zn10—Zn3iv | 120.00 (4) |
Si1i—Pr4—Zn7i | 44.45 (5) | Zn7vi—Zn10—Zn3iv | 102.54 (4) |
Si1ix—Pr4—Zn7i | 135.55 (5) | Zn8—Zn10—Zn3iv | 53.59 (3) |
Zn1x—Pr4—Zn7i | 78.88 (4) | Zn4—Zn10—Zn3iv | 120.91 (5) |
Si1x—Pr4—Zn7i | 78.88 (4) | Zn4iv—Zn10—Zn3iv | 50.79 (3) |
Zn7ix—Pr4—Zn7i | 180.0 | Zn1ii—Zn10—Zn3 | 120.00 (4) |
Zn10vii—Si1—Zn7 | 125.89 (11) | Si1ii—Zn10—Zn3 | 120.00 (4) |
Zn10vii—Si1—Zn6 | 125.72 (11) | Zn7vi—Zn10—Zn3 | 102.54 (4) |
Zn7—Si1—Zn6 | 108.39 (10) | Zn8—Zn10—Zn3 | 53.59 (3) |
Zn10vii—Si1—Pr2vii | 71.27 (6) | Zn4—Zn10—Zn3 | 50.79 (3) |
Zn7—Si1—Pr2vii | 134.72 (4) | Zn4iv—Zn10—Zn3 | 120.91 (5) |
Zn6—Si1—Pr2vii | 70.79 (5) | Zn3iv—Zn10—Zn3 | 97.08 (5) |
Zn10vii—Si1—Pr2xi | 71.27 (6) | Zn1ii—Zn10—Pr3 | 179.96 (7) |
Zn7—Si1—Pr2xi | 134.72 (4) | Si1ii—Zn10—Pr3 | 179.96 (7) |
Zn6—Si1—Pr2xi | 70.79 (5) | Zn7vi—Zn10—Pr3 | 68.23 (4) |
Pr2vii—Si1—Pr2xi | 89.11 (7) | Zn8—Zn10—Pr3 | 67.23 (4) |
Zn10vii—Si1—Pr1iv | 135.95 (3) | Zn4—Zn10—Pr3 | 60.95 (3) |
Zn7—Si1—Pr1iv | 64.87 (5) | Zn4iv—Zn10—Pr3 | 60.95 (3) |
Zn6—Si1—Pr1iv | 65.40 (5) | Zn3iv—Zn10—Pr3 | 59.98 (3) |
Pr2vii—Si1—Pr1iv | 136.15 (8) | Zn3—Zn10—Pr3 | 59.98 (3) |
Pr2xi—Si1—Pr1iv | 75.26 (3) | Zn1ii—Zn10—Pr2 | 63.95 (4) |
Zn10vii—Si1—Pr1 | 135.95 (3) | Si1ii—Zn10—Pr2 | 63.95 (4) |
Zn7—Si1—Pr1 | 64.87 (5) | Zn7vi—Zn10—Pr2 | 136.34 (2) |
Zn6—Si1—Pr1 | 65.40 (5) | Zn8—Zn10—Pr2 | 67.23 (3) |
Pr2vii—Si1—Pr1 | 75.26 (3) | Zn4—Zn10—Pr2 | 87.71 (2) |
Pr2xi—Si1—Pr1 | 136.15 (8) | Zn4iv—Zn10—Pr2 | 167.90 (4) |
Pr1iv—Si1—Pr1 | 88.09 (7) | Zn3iv—Zn10—Pr2 | 117.15 (4) |
Zn10vii—Si1—Pr4iv | 72.49 (6) | Zn3—Zn10—Pr2 | 57.24 (3) |
Zn7—Si1—Pr4iv | 68.39 (5) | Pr3—Zn10—Pr2 | 116.02 (3) |
Zn6—Si1—Pr4iv | 136.18 (4) | Zn1ii—Zn10—Pr2iv | 63.95 (4) |
Pr2vii—Si1—Pr4iv | 143.67 (9) | Si1ii—Zn10—Pr2iv | 63.95 (4) |
Pr2xi—Si1—Pr4iv | 81.76 (3) | Zn7vi—Zn10—Pr2iv | 136.34 (2) |
Pr1iv—Si1—Pr4iv | 75.13 (3) | Zn8—Zn10—Pr2iv | 67.23 (3) |
Pr1—Si1—Pr4iv | 133.13 (8) | Zn4—Zn10—Pr2iv | 167.90 (4) |
Zn10vii—Si1—Pr4 | 72.49 (6) | Zn4iv—Zn10—Pr2iv | 87.71 (2) |
Zn7—Si1—Pr4 | 68.39 (5) | Zn3iv—Zn10—Pr2iv | 57.24 (3) |
Zn6—Si1—Pr4 | 136.18 (4) | Zn3—Zn10—Pr2iv | 117.15 (4) |
Pr2vii—Si1—Pr4 | 81.76 (3) | Pr3—Zn10—Pr2iv | 116.02 (3) |
Pr2xi—Si1—Pr4 | 143.67 (9) | Pr2—Zn10—Pr2iv | 83.45 (3) |
Pr1iv—Si1—Pr4 | 133.13 (8) | Zn1ii—Zn10—Pr4v | 64.51 (5) |
Pr1—Si1—Pr4 | 75.13 (3) | Si1ii—Zn10—Pr4v | 64.51 (5) |
Pr4iv—Si1—Pr4 | 85.11 (6) | Zn7vi—Zn10—Pr4v | 64.47 (3) |
Zn6i—Zn2—Zn6 | 119.63 (6) | Zn8—Zn10—Pr4v | 138.875 (17) |
Zn6i—Zn2—Zn12 | 117.32 (3) | Zn4—Zn10—Pr4v | 56.65 (3) |
Zn6—Zn2—Zn12 | 117.32 (3) | Zn4iv—Zn10—Pr4v | 115.40 (4) |
Zn6i—Zn2—Zn3 | 88.35 (4) | Zn3iv—Zn10—Pr4v | 166.20 (4) |
Zn6—Zn2—Zn3 | 88.35 (4) | Zn3—Zn10—Pr4v | 90.67 (2) |
Zn12—Zn2—Zn3 | 117.38 (5) | Pr3—Zn10—Pr4v | 115.52 (3) |
Zn6i—Zn2—Zn11vii | 143.56 (6) | Pr2—Zn10—Pr4v | 76.651 (18) |
Zn6—Zn2—Zn11vii | 57.39 (3) | Pr2iv—Zn10—Pr4v | 128.40 (4) |
Zn12—Zn2—Zn11vii | 61.68 (3) | Zn9—Zn11—Zn6ii | 113.37 (6) |
Zn3—Zn2—Zn11vii | 125.84 (3) | Zn9—Zn11—Zn12xiii | 110.12 (3) |
Zn6i—Zn2—Zn11xii | 57.39 (3) | Zn6ii—Zn11—Zn12xiii | 109.51 (3) |
Zn6—Zn2—Zn11xii | 143.56 (6) | Zn9—Zn11—Zn12viii | 110.12 (3) |
Zn12—Zn2—Zn11xii | 61.68 (3) | Zn6ii—Zn11—Zn12viii | 109.51 (3) |
Zn3—Zn2—Zn11xii | 125.84 (3) | Zn12xiii—Zn11—Zn12viii | 103.77 (4) |
Zn11vii—Zn2—Zn11xii | 101.98 (6) | Zn9—Zn11—Zn5 | 56.07 (3) |
Zn6i—Zn2—Pr3i | 68.70 (3) | Zn6ii—Zn11—Zn5 | 117.88 (4) |
Zn6—Zn2—Pr3i | 151.58 (6) | Zn12xiii—Zn11—Zn5 | 132.25 (5) |
Zn12—Zn2—Pr3i | 73.90 (3) | Zn12viii—Zn11—Zn5 | 55.72 (3) |
Zn3—Zn2—Pr3i | 63.99 (3) | Zn9—Zn11—Zn5iv | 56.07 (3) |
Zn11vii—Zn2—Pr3i | 133.69 (5) | Zn6ii—Zn11—Zn5iv | 117.88 (4) |
Zn11xii—Zn2—Pr3i | 64.77 (3) | Zn12xiii—Zn11—Zn5iv | 55.72 (3) |
Zn6i—Zn2—Pr3 | 151.58 (6) | Zn12viii—Zn11—Zn5iv | 132.25 (5) |
Zn6—Zn2—Pr3 | 68.70 (3) | Zn5—Zn11—Zn5iv | 103.47 (6) |
Zn12—Zn2—Pr3 | 73.90 (3) | Zn9—Zn11—Zn2ii | 118.81 (4) |
Zn3—Zn2—Pr3 | 63.99 (3) | Zn6ii—Zn11—Zn2ii | 55.75 (3) |
Zn11vii—Zn2—Pr3 | 64.77 (3) | Zn12xiii—Zn11—Zn2ii | 130.77 (5) |
Zn11xii—Zn2—Pr3 | 133.69 (5) | Zn12viii—Zn11—Zn2ii | 55.27 (2) |
Pr3i—Zn2—Pr3 | 91.91 (4) | Zn5—Zn11—Zn2ii | 76.56 (3) |
Zn6i—Zn2—Pr2vii | 71.16 (4) | Zn5iv—Zn11—Zn2ii | 171.01 (6) |
Zn6—Zn2—Pr2vii | 71.16 (4) | Zn9—Zn11—Zn2xiv | 118.81 (4) |
Zn12—Zn2—Pr2vii | 105.86 (4) | Zn6ii—Zn11—Zn2xiv | 55.75 (3) |
Zn3—Zn2—Pr2vii | 136.76 (5) | Zn12xiii—Zn11—Zn2xiv | 55.27 (2) |
Zn11vii—Zn2—Pr2vii | 74.43 (4) | Zn12viii—Zn11—Zn2xiv | 130.77 (5) |
Zn11xii—Zn2—Pr2vii | 74.43 (4) | Zn5—Zn11—Zn2xiv | 171.01 (6) |
Pr3i—Zn2—Pr2vii | 133.556 (19) | Zn5iv—Zn11—Zn2xiv | 76.56 (3) |
Pr3—Zn2—Pr2vii | 133.556 (19) | Zn2ii—Zn11—Zn2xiv | 101.98 (6) |
Zn6i—Zn2—Pr1 | 62.61 (3) | Zn9—Zn11—Pr3xiii | 66.68 (4) |
Zn6—Zn2—Pr1 | 62.61 (3) | Zn6ii—Zn11—Pr3xiii | 179.95 (6) |
Zn12—Zn2—Pr1 | 179.69 (5) | Zn12xiii—Zn11—Pr3xiii | 70.46 (2) |
Zn3—Zn2—Pr1 | 62.93 (4) | Zn12viii—Zn11—Pr3xiii | 70.46 (2) |
Zn11vii—Zn2—Pr1 | 118.17 (3) | Zn5—Zn11—Pr3xiii | 62.15 (3) |
Zn11xii—Zn2—Pr1 | 118.17 (3) | Zn5iv—Zn11—Pr3xiii | 62.15 (3) |
Pr3i—Zn2—Pr1 | 106.31 (3) | Zn2ii—Zn11—Pr3xiii | 124.23 (3) |
Pr3—Zn2—Pr1 | 106.31 (3) | Zn2xiv—Zn11—Pr3xiii | 124.23 (3) |
Pr2vii—Zn2—Pr1 | 73.83 (3) | Zn9—Zn11—Pr3ii | 179.88 (5) |
Zn4—Zn3—Zn8i | 115.98 (4) | Zn6ii—Zn11—Pr3ii | 66.51 (4) |
Zn4—Zn3—Zn8 | 115.98 (4) | Zn12xiii—Zn11—Pr3ii | 69.95 (2) |
Zn8i—Zn3—Zn8 | 122.49 (6) | Zn12viii—Zn11—Pr3ii | 69.95 (3) |
Zn4—Zn3—Zn2 | 105.96 (5) | Zn5—Zn11—Pr3ii | 123.97 (3) |
Zn8i—Zn3—Zn2 | 94.06 (4) | Zn5iv—Zn11—Pr3ii | 123.97 (3) |
Zn8—Zn3—Zn2 | 94.06 (4) | Zn2ii—Zn11—Pr3ii | 61.13 (3) |
Zn4—Zn3—Zn10i | 63.40 (3) | Zn2xiv—Zn11—Pr3ii | 61.13 (3) |
Zn8i—Zn3—Zn10i | 56.09 (3) | Pr3xiii—Zn11—Pr3ii | 113.43 (4) |
Zn8—Zn3—Zn10i | 139.12 (6) | Zn9—Zn11—Pr2iv | 66.33 (3) |
Zn2—Zn3—Zn10i | 126.30 (3) | Zn6ii—Zn11—Pr2iv | 62.29 (3) |
Zn4—Zn3—Zn10 | 63.40 (3) | Zn12xiii—Zn11—Pr2iv | 90.217 (13) |
Zn8i—Zn3—Zn10 | 139.12 (6) | Zn12viii—Zn11—Pr2iv | 165.77 (3) |
Zn8—Zn3—Zn10 | 56.09 (3) | Zn5—Zn11—Pr2iv | 116.11 (4) |
Zn2—Zn3—Zn10 | 126.30 (3) | Zn5iv—Zn11—Pr2iv | 58.43 (3) |
Zn10i—Zn3—Zn10 | 97.08 (5) | Zn2ii—Zn11—Pr2iv | 113.26 (4) |
Zn4—Zn3—Pr2 | 102.27 (5) | Zn2xiv—Zn11—Pr2iv | 56.04 (3) |
Zn8i—Zn3—Pr2 | 73.30 (4) | Pr3xiii—Zn11—Pr2iv | 117.75 (3) |
Zn8—Zn3—Pr2 | 73.30 (4) | Pr3ii—Zn11—Pr2iv | 113.58 (3) |
Zn2—Zn3—Pr2 | 151.77 (5) | Zn9—Zn11—Pr2 | 66.33 (3) |
Zn10i—Zn3—Pr2 | 67.58 (3) | Zn6ii—Zn11—Pr2 | 62.29 (3) |
Zn10—Zn3—Pr2 | 67.58 (3) | Zn12xiii—Zn11—Pr2 | 165.77 (3) |
Zn4—Zn3—Pr3i | 66.36 (3) | Zn12viii—Zn11—Pr2 | 90.217 (13) |
Zn8i—Zn3—Pr3i | 69.89 (3) | Zn5—Zn11—Pr2 | 58.43 (3) |
Zn8—Zn3—Pr3i | 156.93 (6) | Zn5iv—Zn11—Pr2 | 116.11 (4) |
Zn2—Zn3—Pr3i | 64.33 (3) | Zn2ii—Zn11—Pr2 | 56.04 (3) |
Zn10i—Zn3—Pr3i | 63.64 (3) | Zn2xiv—Zn11—Pr2 | 113.26 (4) |
Zn10—Zn3—Pr3i | 129.52 (5) | Pr3xiii—Zn11—Pr2 | 117.75 (3) |
Pr2—Zn3—Pr3i | 129.61 (3) | Pr3ii—Zn11—Pr2 | 113.58 (3) |
Zn4—Zn3—Pr3 | 66.36 (3) | Pr2iv—Zn11—Pr2 | 75.70 (3) |
Zn8i—Zn3—Pr3 | 156.93 (6) | Zn2—Zn12—Zn2xv | 180.0 |
Zn8—Zn3—Pr3 | 69.89 (3) | Zn2—Zn12—Zn5vii | 83.78 (4) |
Zn2—Zn3—Pr3 | 64.33 (3) | Zn2xv—Zn12—Zn5vii | 96.23 (4) |
Zn10i—Zn3—Pr3 | 129.52 (5) | Zn2—Zn12—Zn5v | 96.22 (4) |
Zn10—Zn3—Pr3 | 63.64 (3) | Zn2xv—Zn12—Zn5v | 83.77 (4) |
Pr2—Zn3—Pr3 | 129.61 (3) | Zn5vii—Zn12—Zn5v | 180.00 (4) |
Pr3i—Zn3—Pr3 | 92.25 (4) | Zn2—Zn12—Zn11vii | 63.05 (3) |
Zn4—Zn3—Pr1 | 174.51 (6) | Zn2xv—Zn12—Zn11vii | 116.95 (3) |
Zn8i—Zn3—Pr1 | 65.36 (3) | Zn5vii—Zn12—Zn11vii | 62.25 (3) |
Zn8—Zn3—Pr1 | 65.35 (3) | Zn5v—Zn12—Zn11vii | 117.75 (3) |
Zn2—Zn3—Pr1 | 68.55 (4) | Zn2—Zn12—Zn11v | 116.95 (3) |
Zn10i—Zn3—Pr1 | 119.50 (3) | Zn2xv—Zn12—Zn11v | 63.05 (3) |
Zn10—Zn3—Pr1 | 119.50 (3) | Zn5vii—Zn12—Zn11v | 117.75 (3) |
Pr2—Zn3—Pr1 | 83.22 (3) | Zn5v—Zn12—Zn11v | 62.25 (3) |
Pr3i—Zn3—Pr1 | 110.19 (3) | Zn11vii—Zn12—Zn11v | 180.00 (4) |
Pr3—Zn3—Pr1 | 110.19 (3) | Zn2—Zn12—Zn11xii | 63.05 (3) |
Zn3—Zn4—Zn7v | 117.49 (3) | Zn2xv—Zn12—Zn11xii | 116.95 (3) |
Zn3—Zn4—Zn7vi | 117.49 (3) | Zn5vii—Zn12—Zn11xii | 62.25 (3) |
Zn7v—Zn4—Zn7vi | 121.28 (6) | Zn5v—Zn12—Zn11xii | 117.75 (3) |
Zn3—Zn4—Zn5v | 104.02 (6) | Zn11vii—Zn12—Zn11xii | 103.77 (4) |
Zn7v—Zn4—Zn5v | 92.77 (4) | Zn11v—Zn12—Zn11xii | 76.23 (4) |
Zn7vi—Zn4—Zn5v | 92.77 (4) | Zn2—Zn12—Zn11vi | 116.95 (3) |
Zn3—Zn4—Zn10 | 65.81 (4) | Zn2xv—Zn12—Zn11vi | 63.05 (3) |
Zn7v—Zn4—Zn10 | 140.66 (6) | Zn5vii—Zn12—Zn11vi | 117.75 (3) |
Zn7vi—Zn4—Zn10 | 55.99 (3) | Zn5v—Zn12—Zn11vi | 62.25 (3) |
Zn5v—Zn4—Zn10 | 125.59 (3) | Zn11vii—Zn12—Zn11vi | 76.23 (4) |
Zn3—Zn4—Zn10i | 65.81 (4) | Zn11v—Zn12—Zn11vi | 103.77 (4) |
Zn7v—Zn4—Zn10i | 55.99 (3) | Zn11xii—Zn12—Zn11vi | 180.00 (4) |
Zn7vi—Zn4—Zn10i | 140.66 (6) | Zn2—Zn12—Pr3 | 59.08 (2) |
Zn5v—Zn4—Zn10i | 125.59 (3) | Zn2xv—Zn12—Pr3 | 120.92 (2) |
Zn10—Zn4—Zn10i | 99.73 (5) | Zn5vii—Zn12—Pr3 | 120.68 (2) |
Zn3—Zn4—Pr4v | 110.21 (5) | Zn5v—Zn12—Pr3 | 59.32 (2) |
Zn7v—Zn4—Pr4v | 71.68 (4) | Zn11vii—Zn12—Pr3 | 60.04 (3) |
Zn7vi—Zn4—Pr4v | 71.68 (4) | Zn11v—Zn12—Pr3 | 119.96 (3) |
Zn5v—Zn4—Pr4v | 145.77 (5) | Zn11xii—Zn12—Pr3 | 120.70 (3) |
Zn10—Zn4—Pr4v | 71.01 (3) | Zn11vi—Zn12—Pr3 | 59.30 (3) |
Zn10i—Zn4—Pr4v | 71.01 (3) | Zn2—Zn12—Pr3xvi | 120.93 (2) |
Zn3—Zn4—Pr3i | 65.57 (3) | Zn2xv—Zn12—Pr3xvi | 59.08 (2) |
Zn7v—Zn4—Pr3i | 70.07 (3) | Zn5vii—Zn12—Pr3xvi | 59.33 (2) |
Zn7vi—Zn4—Pr3i | 155.24 (6) | Zn5v—Zn12—Pr3xvi | 120.67 (2) |
Zn5v—Zn4—Pr3i | 63.58 (3) | Zn11vii—Zn12—Pr3xvi | 59.31 (3) |
Zn10—Zn4—Pr3i | 131.14 (5) | Zn11v—Zn12—Pr3xvi | 120.69 (2) |
Zn10i—Zn4—Pr3i | 64.05 (3) | Zn11xii—Zn12—Pr3xvi | 119.96 (3) |
Pr4v—Zn4—Pr3i | 132.08 (2) | Zn11vi—Zn12—Pr3xvi | 60.04 (3) |
Zn3—Zn4—Pr3 | 65.58 (3) | Pr3—Zn12—Pr3xvi | 100.153 (16) |
Zn7v—Zn4—Pr3 | 155.24 (6) | Zn2—Zn12—Pr3i | 59.07 (2) |
Zn7vi—Zn4—Pr3 | 70.07 (3) | Zn2xv—Zn12—Pr3i | 120.92 (2) |
Zn5v—Zn4—Pr3 | 63.58 (3) | Zn5vii—Zn12—Pr3i | 120.67 (2) |
Zn10—Zn4—Pr3 | 64.05 (3) | Zn5v—Zn12—Pr3i | 59.33 (2) |
Zn10i—Zn4—Pr3 | 131.14 (5) | Zn11vii—Zn12—Pr3i | 120.69 (3) |
Pr4v—Zn4—Pr3 | 132.08 (2) | Zn11v—Zn12—Pr3i | 59.31 (3) |
Pr3i—Zn4—Pr3 | 91.53 (4) | Zn11xii—Zn12—Pr3i | 60.04 (3) |
Zn3—Zn4—Pr1v | 171.58 (6) | Zn11vi—Zn12—Pr3i | 119.96 (3) |
Zn7v—Zn4—Pr1v | 64.37 (3) | Pr3—Zn12—Pr3i | 79.847 (16) |
Zn7vi—Zn4—Pr1v | 64.37 (3) | Pr3xvi—Zn12—Pr3i | 180.000 (16) |
Zn5v—Zn4—Pr1v | 67.55 (4) | Zn2—Zn12—Pr3xv | 120.93 (2) |
Zn10—Zn4—Pr1v | 118.57 (3) | Zn2xv—Zn12—Pr3xv | 59.08 (2) |
Zn10i—Zn4—Pr1v | 118.57 (3) | Zn5vii—Zn12—Pr3xv | 59.33 (2) |
Pr4v—Zn4—Pr1v | 78.22 (3) | Zn5v—Zn12—Pr3xv | 120.67 (2) |
Pr3i—Zn4—Pr1v | 109.07 (3) | Zn11vii—Zn12—Pr3xv | 119.96 (3) |
Pr3—Zn4—Pr1v | 109.07 (3) | Zn11v—Zn12—Pr3xv | 60.04 (3) |
Zn9—Zn5—Zn9i | 120.69 (6) | Zn11xii—Zn12—Pr3xv | 59.31 (2) |
Zn9—Zn5—Zn12viii | 117.36 (4) | Zn11vi—Zn12—Pr3xv | 120.69 (2) |
Zn9i—Zn5—Zn12viii | 117.36 (4) | Pr3—Zn12—Pr3xv | 179.999 (13) |
Zn9—Zn5—Zn4viii | 87.70 (4) | Pr3xvi—Zn12—Pr3xv | 79.846 (16) |
Zn9i—Zn5—Zn4viii | 87.70 (4) | Pr3i—Zn12—Pr3xv | 100.154 (16) |
Symmetry codes: (i) x, y, z+1; (ii) x+1/2, −y+1/2, z; (iii) x+1/2, −y+1/2, z+1; (iv) x, y, z−1; (v) −x+1/2, y+1/2, −z+1; (vi) −x+1/2, y+1/2, −z; (vii) x−1/2, −y+1/2, z; (viii) −x+1/2, y−1/2, −z+1; (ix) −x, −y, −z; (x) −x, −y, −z+1; (xi) x−1/2, −y+1/2, z−1; (xii) x−1/2, −y+1/2, z+1; (xiii) −x+1/2, y−1/2, −z; (xiv) x+1/2, −y+1/2, z−1; (xv) −x, −y+1, −z+1; (xvi) −x, −y+1, −z. |
Nd7Zn21.53Si1.47 | Dx = 7.059 Mg m−3 |
Mr = 2458.20 | Mo Kα radiation, λ = 0.71073 Å |
Orthorhombic, Pbam | Cell parameters from 781 reflections |
a = 15.345 (2) Å | θ = 5.4–28.8° |
b = 17.001 (2) Å | µ = 37.27 mm−1 |
c = 4.4330 (6) Å | T = 200 K |
V = 1156.6 (3) Å3 | Irregular, silver-gray |
Z = 2 | 0.03 × 0.02 × 0.01 mm |
F(000) = 2173 |
Bruker APEXII CCD diffractometer | 1147 reflections with I > 2σ(I) |
φ and ω scans | Rint = 0.111 |
Absorption correction: multi-scan (SADABS; Sheldrick, 2008) | θmax = 28.3°, θmin = 1.8° |
Tmin = 0.595, Tmax = 0.746 | h = −20→20 |
15582 measured reflections | k = −22→22 |
1617 independent reflections | l = −5→5 |
Refinement on F2 | 0 restraints |
Least-squares matrix: full | w = 1/[σ2(Fo2) + (0.0082P)2 + 11.3847P] where P = (Fo2 + 2Fc2)/3 |
R[F2 > 2σ(F2)] = 0.035 | (Δ/σ)max < 0.001 |
wR(F2) = 0.059 | Δρmax = 2.61 e Å−3 |
S = 1.03 | Δρmin = −2.16 e Å−3 |
1617 reflections | Extinction correction: SHELXTL (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
95 parameters | Extinction coefficient: 0.000130 (14) |
Nd7Zn21.53Si1.47 | V = 1156.6 (3) Å3 |
Mr = 2458.20 | Z = 2 |
Orthorhombic, Pbam | Mo Kα radiation |
a = 15.345 (2) Å | µ = 37.27 mm−1 |
b = 17.001 (2) Å | T = 200 K |
c = 4.4330 (6) Å | 0.03 × 0.02 × 0.01 mm |
Bruker APEXII CCD diffractometer | 1617 independent reflections |
Absorption correction: multi-scan (SADABS; Sheldrick, 2008) | 1147 reflections with I > 2σ(I) |
Tmin = 0.595, Tmax = 0.746 | Rint = 0.111 |
15582 measured reflections |
R[F2 > 2σ(F2)] = 0.035 | 0 restraints |
wR(F2) = 0.059 | w = 1/[σ2(Fo2) + (0.0082P)2 + 11.3847P] where P = (Fo2 + 2Fc2)/3 |
S = 1.03 | Δρmax = 2.61 e Å−3 |
1617 reflections | Δρmin = −2.16 e Å−3 |
95 parameters |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Nd1 | 0.16474 (5) | 0.18072 (4) | 0.5000 | 0.00852 (17) | |
Nd2 | 0.41790 (5) | 0.26073 (5) | 0.5000 | 0.01242 (19) | |
Nd3 | 0.16448 (5) | 0.45460 (4) | 0.0000 | 0.00850 (17) | |
Nd4 | 0.0000 | 0.0000 | 0.5000 | 0.0120 (2) | |
Si1 | 0.01946 (19) | 0.14105 (17) | 0.0000 | 0.0093 (9) | 0.736 (10) |
Zn1 | 0.01946 (19) | 0.14105 (17) | 0.0000 | 0.0093 (9) | 0.264 (10) |
Zn2 | 0.07246 (12) | 0.35877 (10) | 0.5000 | 0.0124 (4) | |
Zn3 | 0.24818 (12) | 0.35393 (10) | 0.5000 | 0.0125 (4) | |
Zn4 | 0.29945 (11) | 0.49488 (11) | 0.5000 | 0.0131 (4) | |
Zn5 | 0.35239 (12) | 0.08107 (10) | 0.5000 | 0.0132 (4) | |
Zn6 | 0.07349 (11) | 0.28261 (10) | 0.0000 | 0.0100 (4) | |
Zn7 | 0.14992 (11) | 0.05234 (10) | 0.0000 | 0.0099 (4) | |
Zn8 | 0.25626 (11) | 0.28137 (9) | 0.0000 | 0.0096 (4) | |
Zn9 | 0.30276 (11) | 0.14113 (10) | 0.0000 | 0.0106 (4) | |
Zn10 | 0.36437 (11) | 0.40079 (10) | 0.0000 | 0.0121 (4) | |
Zn11 | 0.46566 (11) | 0.09823 (10) | 0.0000 | 0.0117 (4) | |
Zn12 | 0.0000 | 0.5000 | 0.5000 | 0.0138 (5) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Nd1 | 0.0085 (4) | 0.0095 (4) | 0.0076 (4) | 0.0005 (3) | 0.000 | 0.000 |
Nd2 | 0.0087 (4) | 0.0167 (4) | 0.0119 (4) | 0.0000 (3) | 0.000 | 0.000 |
Nd3 | 0.0088 (4) | 0.0092 (4) | 0.0075 (4) | 0.0001 (3) | 0.000 | 0.000 |
Nd4 | 0.0097 (6) | 0.0151 (6) | 0.0114 (6) | −0.0018 (5) | 0.000 | 0.000 |
Si1 | 0.0099 (17) | 0.0075 (16) | 0.0104 (16) | 0.0003 (12) | 0.000 | 0.000 |
Zn1 | 0.0099 (17) | 0.0075 (16) | 0.0104 (16) | 0.0003 (12) | 0.000 | 0.000 |
Zn2 | 0.0165 (9) | 0.0103 (9) | 0.0104 (9) | −0.0034 (7) | 0.000 | 0.000 |
Zn3 | 0.0178 (9) | 0.0104 (9) | 0.0093 (9) | 0.0035 (7) | 0.000 | 0.000 |
Zn4 | 0.0130 (9) | 0.0162 (9) | 0.0102 (9) | −0.0046 (7) | 0.000 | 0.000 |
Zn5 | 0.0196 (10) | 0.0107 (9) | 0.0094 (9) | 0.0008 (7) | 0.000 | 0.000 |
Zn6 | 0.0112 (9) | 0.0085 (8) | 0.0104 (9) | 0.0006 (7) | 0.000 | 0.000 |
Zn7 | 0.0124 (9) | 0.0094 (8) | 0.0079 (8) | 0.0011 (7) | 0.000 | 0.000 |
Zn8 | 0.0118 (9) | 0.0085 (8) | 0.0085 (8) | 0.0000 (7) | 0.000 | 0.000 |
Zn9 | 0.0119 (9) | 0.0105 (9) | 0.0093 (9) | 0.0023 (7) | 0.000 | 0.000 |
Zn10 | 0.0101 (9) | 0.0101 (9) | 0.0162 (10) | 0.0001 (7) | 0.000 | 0.000 |
Zn11 | 0.0100 (9) | 0.0126 (9) | 0.0124 (9) | −0.0014 (7) | 0.000 | 0.000 |
Zn12 | 0.0126 (13) | 0.0168 (13) | 0.0120 (13) | −0.0005 (11) | 0.000 | 0.000 |
Nd1—Zn7 | 3.1190 (13) | Zn3—Nd3i | 3.0810 (13) |
Nd1—Zn7i | 3.1191 (13) | Zn4—Zn7vi | 2.5438 (12) |
Nd1—Zn8 | 3.1327 (13) | Zn4—Zn7vii | 2.5438 (12) |
Nd1—Zn8i | 3.1327 (13) | Zn4—Zn5vi | 2.753 (3) |
Nd1—Zn9 | 3.1388 (14) | Zn4—Zn10i | 2.9093 (16) |
Nd1—Zn9i | 3.1388 (14) | Zn4—Zn10 | 2.9093 (16) |
Nd1—Zn6i | 3.1423 (13) | Zn4—Nd4vi | 3.0787 (18) |
Nd1—Zn6 | 3.1423 (13) | Zn4—Nd3i | 3.1099 (14) |
Nd1—Zn4ii | 3.207 (2) | Zn4—Nd1vi | 3.207 (2) |
Nd1—Zn3 | 3.2111 (19) | Zn5—Zn9i | 2.5564 (12) |
Nd1—Si1 | 3.215 (2) | Zn5—Zn9 | 2.5564 (12) |
Nd2—Zn3 | 3.049 (2) | Zn5—Zn12ii | 2.6515 (18) |
Nd2—Zn2iii | 3.1229 (19) | Zn5—Zn4ii | 2.753 (3) |
Nd2—Zn1iv | 3.183 (2) | Zn5—Zn11 | 2.8318 (15) |
Nd2—Si1iv | 3.183 (2) | Zn5—Zn11i | 2.8318 (15) |
Nd2—Zn1iii | 3.183 (2) | Zn5—Nd3xiii | 3.0989 (13) |
Nd2—Si1iii | 3.183 (2) | Zn5—Nd3ii | 3.0989 (13) |
Nd2—Zn5 | 3.2156 (19) | Zn6—Zn2v | 2.5671 (12) |
Nd2—Zn6iv | 3.3401 (14) | Zn6—Zn11viii | 2.616 (2) |
Nd2—Zn6iii | 3.3401 (14) | Zn6—Zn8 | 2.805 (2) |
Nd2—Zn8 | 3.3449 (14) | Zn6—Nd1v | 3.1424 (13) |
Nd2—Zn8i | 3.3449 (14) | Zn6—Nd2xi | 3.3402 (14) |
Nd2—Zn10 | 3.3553 (15) | Zn6—Nd2viii | 3.3402 (14) |
Nd3—Zn3v | 3.0809 (13) | Zn7—Zn4xiii | 2.5438 (12) |
Nd3—Zn3 | 3.0810 (13) | Zn7—Zn4ii | 2.5438 (12) |
Nd3—Zn2v | 3.0922 (13) | Zn7—Zn10xiii | 2.586 (2) |
Nd3—Zn2 | 3.0922 (13) | Zn7—Zn9 | 2.789 (2) |
Nd3—Zn5vi | 3.0990 (13) | Zn7—Nd1v | 3.1190 (13) |
Nd3—Zn5vii | 3.0990 (13) | Zn7—Nd3xiii | 3.2974 (19) |
Nd3—Zn4v | 3.1099 (14) | Zn7—Nd4v | 3.3162 (13) |
Nd3—Zn4 | 3.1099 (14) | Zn8—Zn9 | 2.489 (2) |
Nd3—Zn11vii | 3.1546 (19) | Zn8—Zn3v | 2.5397 (11) |
Nd3—Zn11viii | 3.1805 (19) | Zn8—Zn10 | 2.622 (2) |
Nd3—Zn10 | 3.2009 (19) | Zn8—Nd1v | 3.1327 (13) |
Nd3—Zn9vii | 3.2108 (19) | Zn8—Nd2v | 3.3449 (14) |
Nd4—Zn4viii | 3.0787 (18) | Zn9—Zn5v | 2.5564 (12) |
Nd4—Zn4ii | 3.0787 (18) | Zn9—Zn11 | 2.604 (2) |
Nd4—Zn1ix | 3.279 (2) | Zn9—Nd1v | 3.1388 (14) |
Nd4—Zn1i | 3.279 (2) | Zn9—Nd3xiii | 3.2108 (19) |
Nd4—Si1ix | 3.279 (2) | Zn9—Nd2v | 3.4884 (15) |
Nd4—Si1i | 3.279 (2) | Zn10—Zn1iii | 2.484 (3) |
Nd4—Zn1x | 3.279 (2) | Zn10—Si1iii | 2.484 (3) |
Nd4—Si1x | 3.279 (2) | Zn10—Zn7vii | 2.586 (2) |
Nd4—Si1 | 3.279 (2) | Zn10—Zn4v | 2.9093 (16) |
Nd4—Zn7ix | 3.3162 (13) | Zn10—Zn3v | 2.9541 (17) |
Nd4—Zn7i | 3.3162 (13) | Zn10—Nd2v | 3.3553 (15) |
Si1—Zn10viii | 2.484 (3) | Zn10—Nd4vi | 3.4771 (13) |
Si1—Zn7 | 2.506 (3) | Zn11—Zn6iii | 2.616 (2) |
Si1—Zn6 | 2.545 (3) | Zn11—Zn12xiii | 2.8249 (11) |
Si1—Nd2viii | 3.183 (2) | Zn11—Zn12ii | 2.8249 (11) |
Si1—Nd2xi | 3.183 (2) | Zn11—Zn5v | 2.8318 (15) |
Si1—Nd1v | 3.215 (2) | Zn11—Zn2iii | 2.8518 (16) |
Si1—Nd4v | 3.279 (2) | Zn11—Zn2xiv | 2.8518 (16) |
Zn2—Zn6 | 2.5671 (12) | Zn11—Nd3xiii | 3.1546 (19) |
Zn2—Zn6i | 2.5671 (12) | Zn11—Nd3iii | 3.1805 (19) |
Zn2—Zn12 | 2.6461 (18) | Zn11—Nd2v | 3.6169 (16) |
Zn2—Zn3 | 2.698 (2) | Zn12—Zn2xv | 2.6460 (18) |
Zn2—Zn11viii | 2.8518 (16) | Zn12—Zn5viii | 2.6516 (18) |
Zn2—Zn11xii | 2.8518 (16) | Zn12—Zn5vi | 2.6516 (18) |
Zn2—Nd3i | 3.0922 (13) | Zn12—Zn11viii | 2.8249 (11) |
Zn2—Nd2viii | 3.1229 (19) | Zn12—Zn11vi | 2.8249 (11) |
Zn3—Zn4 | 2.522 (2) | Zn12—Zn11xii | 2.8249 (11) |
Zn3—Zn8i | 2.5397 (11) | Zn12—Zn11vii | 2.8249 (11) |
Zn3—Zn8 | 2.5397 (11) | Zn12—Nd3xvi | 3.4467 (7) |
Zn3—Zn10i | 2.9541 (17) | Zn12—Nd3i | 3.4467 (7) |
Zn3—Zn10 | 2.9541 (17) | Zn12—Nd3xv | 3.4467 (7) |
Zn7—Nd1—Zn7i | 90.57 (5) | Zn12ii—Zn5—Zn4ii | 116.51 (7) |
Zn7—Nd1—Zn8 | 84.96 (3) | Zn9i—Zn5—Zn11 | 145.12 (8) |
Zn7i—Nd1—Zn8 | 156.60 (5) | Zn9—Zn5—Zn11 | 57.53 (5) |
Zn7—Nd1—Zn8i | 156.60 (5) | Zn12ii—Zn5—Zn11 | 61.91 (5) |
Zn7i—Nd1—Zn8i | 84.96 (3) | Zn4ii—Zn5—Zn11 | 125.06 (4) |
Zn8—Nd1—Zn8i | 90.07 (5) | Zn9i—Zn5—Zn11i | 57.52 (5) |
Zn7—Nd1—Zn9 | 52.94 (4) | Zn9—Zn5—Zn11i | 145.12 (8) |
Zn7i—Nd1—Zn9 | 113.64 (5) | Zn12ii—Zn5—Zn11i | 61.91 (5) |
Zn8—Nd1—Zn9 | 46.76 (4) | Zn4ii—Zn5—Zn11i | 125.06 (4) |
Zn8i—Nd1—Zn9 | 108.32 (5) | Zn11—Zn5—Zn11i | 103.02 (8) |
Zn7—Nd1—Zn9i | 113.64 (5) | Zn9i—Zn5—Nd3xiii | 150.74 (8) |
Zn7i—Nd1—Zn9i | 52.94 (4) | Zn9—Zn5—Nd3xiii | 68.41 (4) |
Zn8—Nd1—Zn9i | 108.31 (5) | Zn12ii—Zn5—Nd3xiii | 73.18 (4) |
Zn8i—Nd1—Zn9i | 46.76 (4) | Zn4ii—Zn5—Nd3xiii | 63.89 (4) |
Zn9—Nd1—Zn9i | 89.85 (5) | Zn11—Zn5—Nd3xiii | 64.08 (4) |
Zn7—Nd1—Zn6i | 148.71 (5) | Zn11i—Zn5—Nd3xiii | 133.05 (7) |
Zn7i—Nd1—Zn6i | 81.49 (4) | Zn9i—Zn5—Nd3ii | 68.41 (4) |
Zn8—Nd1—Zn6i | 113.44 (4) | Zn9—Zn5—Nd3ii | 150.73 (8) |
Zn8i—Nd1—Zn6i | 53.10 (4) | Zn12ii—Zn5—Nd3ii | 73.18 (4) |
Zn9—Nd1—Zn6i | 156.49 (5) | Zn4ii—Zn5—Nd3ii | 63.89 (4) |
Zn9i—Nd1—Zn6i | 85.46 (3) | Zn11—Zn5—Nd3ii | 133.05 (7) |
Zn7—Nd1—Zn6 | 81.49 (4) | Zn11i—Zn5—Nd3ii | 64.08 (4) |
Zn7i—Nd1—Zn6 | 148.71 (5) | Nd3xiii—Zn5—Nd3ii | 91.33 (5) |
Zn8—Nd1—Zn6 | 53.10 (4) | Zn9i—Zn5—Nd2 | 73.37 (5) |
Zn8i—Nd1—Zn6 | 113.43 (4) | Zn9—Zn5—Nd2 | 73.37 (5) |
Zn9—Nd1—Zn6 | 85.46 (3) | Zn12ii—Zn5—Nd2 | 103.10 (6) |
Zn9i—Nd1—Zn6 | 156.49 (5) | Zn4ii—Zn5—Nd2 | 140.39 (7) |
Zn6i—Nd1—Zn6 | 89.72 (5) | Zn11—Zn5—Nd2 | 73.16 (5) |
Zn7—Nd1—Zn4ii | 47.40 (3) | Zn11i—Zn5—Nd2 | 73.16 (5) |
Zn7i—Nd1—Zn4ii | 47.40 (3) | Nd3xiii—Zn5—Nd2 | 133.25 (3) |
Zn8—Nd1—Zn4ii | 117.47 (4) | Nd3ii—Zn5—Nd2 | 133.25 (3) |
Zn8i—Nd1—Zn4ii | 117.48 (4) | Zn9i—Zn5—Nd1 | 62.66 (5) |
Zn9—Nd1—Zn4ii | 70.92 (4) | Zn9—Zn5—Nd1 | 62.66 (5) |
Zn9i—Nd1—Zn4ii | 70.92 (4) | Zn12ii—Zn5—Nd1 | 179.15 (7) |
Zn6i—Nd1—Zn4ii | 128.28 (3) | Zn4ii—Zn5—Nd1 | 62.64 (5) |
Zn6—Nd1—Zn4ii | 128.28 (3) | Zn11—Zn5—Nd1 | 118.48 (5) |
Zn7—Nd1—Zn3 | 132.13 (3) | Zn11i—Zn5—Nd1 | 118.48 (5) |
Zn7i—Nd1—Zn3 | 132.13 (3) | Nd3xiii—Zn5—Nd1 | 106.25 (5) |
Zn8—Nd1—Zn3 | 47.18 (3) | Nd3ii—Zn5—Nd1 | 106.25 (5) |
Zn8i—Nd1—Zn3 | 47.18 (3) | Nd2—Zn5—Nd1 | 77.75 (4) |
Zn9—Nd1—Zn3 | 85.85 (4) | Si1—Zn6—Zn2 | 118.35 (5) |
Zn9i—Nd1—Zn3 | 85.85 (4) | Si1—Zn6—Zn2v | 118.35 (5) |
Zn6i—Nd1—Zn3 | 70.86 (4) | Zn2—Zn6—Zn2v | 119.41 (9) |
Zn6—Nd1—Zn3 | 70.86 (4) | Si1—Zn6—Zn11viii | 121.75 (10) |
Zn4ii—Nd1—Zn3 | 146.63 (5) | Zn2—Zn6—Zn11viii | 66.76 (5) |
Zn7—Nd1—Si1 | 46.59 (6) | Zn2v—Zn6—Zn11viii | 66.76 (5) |
Zn7i—Nd1—Si1 | 107.01 (6) | Si1—Zn6—Zn8 | 108.58 (9) |
Zn8—Nd1—Si1 | 86.43 (5) | Zn2—Zn6—Zn8 | 90.57 (6) |
Zn8i—Nd1—Si1 | 155.95 (6) | Zn2v—Zn6—Zn8 | 90.57 (6) |
Zn9—Nd1—Si1 | 86.34 (4) | Zn11viii—Zn6—Zn8 | 129.67 (8) |
Zn9i—Nd1—Si1 | 155.47 (6) | Si1—Zn6—Nd1 | 67.91 (5) |
Zn6i—Nd1—Si1 | 107.03 (6) | Zn2—Zn6—Nd1 | 70.84 (4) |
Zn6—Nd1—Si1 | 47.19 (6) | Zn2v—Zn6—Nd1 | 152.86 (8) |
Zn4ii—Nd1—Si1 | 84.96 (6) | Zn11viii—Zn6—Nd1 | 135.14 (2) |
Zn3—Nd1—Si1 | 117.96 (5) | Zn8—Zn6—Nd1 | 63.27 (4) |
Zn3—Nd2—Zn2iii | 170.73 (6) | Si1—Zn6—Nd1v | 67.91 (5) |
Zn3—Nd2—Zn1iv | 98.37 (6) | Zn2—Zn6—Nd1v | 152.86 (8) |
Zn2iii—Nd2—Zn1iv | 88.25 (6) | Zn2v—Zn6—Nd1v | 70.84 (4) |
Zn3—Nd2—Si1iv | 98.37 (6) | Zn11viii—Zn6—Nd1v | 135.14 (2) |
Zn2iii—Nd2—Si1iv | 88.25 (6) | Zn8—Zn6—Nd1v | 63.27 (4) |
Zn1iv—Nd2—Si1iv | 0.00 (9) | Nd1—Zn6—Nd1v | 89.72 (5) |
Zn3—Nd2—Zn1iii | 98.37 (6) | Si1—Zn6—Nd3 | 173.49 (9) |
Zn2iii—Nd2—Zn1iii | 88.25 (6) | Zn2—Zn6—Nd3 | 63.09 (5) |
Zn1iv—Nd2—Zn1iii | 88.28 (8) | Zn2v—Zn6—Nd3 | 63.09 (5) |
Si1iv—Nd2—Zn1iii | 88.28 (8) | Zn11viii—Zn6—Nd3 | 64.77 (6) |
Zn3—Nd2—Si1iii | 98.37 (6) | Zn8—Zn6—Nd3 | 64.91 (5) |
Zn2iii—Nd2—Si1iii | 88.25 (6) | Nd1—Zn6—Nd3 | 107.79 (4) |
Zn1iv—Nd2—Si1iii | 88.28 (8) | Nd1v—Zn6—Nd3 | 107.79 (4) |
Si1iv—Nd2—Si1iii | 88.28 (8) | Si1—Zn6—Nd2xi | 63.81 (6) |
Zn1iii—Nd2—Si1iii | 0.00 (9) | Zn2—Zn6—Nd2xi | 132.83 (7) |
Zn3—Nd2—Zn5 | 103.10 (5) | Zn2v—Zn6—Nd2xi | 62.22 (4) |
Zn2iii—Nd2—Zn5 | 67.63 (5) | Zn11viii—Zn6—Nd2xi | 73.66 (5) |
Zn1iv—Nd2—Zn5 | 130.65 (5) | Zn8—Zn6—Nd2xi | 135.49 (3) |
Si1iv—Nd2—Zn5 | 130.65 (5) | Nd1—Zn6—Nd2xi | 131.68 (6) |
Zn1iii—Nd2—Zn5 | 130.65 (5) | Nd1v—Zn6—Nd2xi | 74.27 (3) |
Si1iii—Nd2—Zn5 | 130.65 (5) | Nd3—Zn6—Nd2xi | 120.47 (4) |
Zn3—Nd2—Zn6iv | 136.50 (3) | Si1—Zn6—Nd2viii | 63.81 (6) |
Zn2iii—Nd2—Zn6iv | 46.66 (3) | Zn2—Zn6—Nd2viii | 62.22 (4) |
Zn1iv—Nd2—Zn6iv | 45.86 (6) | Zn2v—Zn6—Nd2viii | 132.83 (7) |
Si1iv—Nd2—Zn6iv | 45.86 (6) | Zn11viii—Zn6—Nd2viii | 73.66 (5) |
Zn1iii—Nd2—Zn6iv | 103.17 (6) | Zn8—Zn6—Nd2viii | 135.49 (3) |
Si1iii—Nd2—Zn6iv | 103.17 (6) | Nd1—Zn6—Nd2viii | 74.27 (3) |
Zn5—Nd2—Zn6iv | 90.80 (4) | Nd1v—Zn6—Nd2viii | 131.68 (6) |
Zn3—Nd2—Zn6iii | 136.50 (3) | Nd3—Zn6—Nd2viii | 120.47 (4) |
Zn2iii—Nd2—Zn6iii | 46.66 (3) | Nd2xi—Zn6—Nd2viii | 83.15 (4) |
Zn1iv—Nd2—Zn6iii | 103.17 (6) | Si1—Zn7—Zn4xiii | 118.36 (5) |
Si1iv—Nd2—Zn6iii | 103.17 (6) | Si1—Zn7—Zn4ii | 118.36 (5) |
Zn1iii—Nd2—Zn6iii | 45.86 (6) | Zn4xiii—Zn7—Zn4ii | 121.23 (10) |
Si1iii—Nd2—Zn6iii | 45.86 (6) | Si1—Zn7—Zn10xiii | 122.13 (10) |
Zn5—Nd2—Zn6iii | 90.80 (4) | Zn4xiii—Zn7—Zn10xiii | 69.10 (5) |
Zn6iv—Nd2—Zn6iii | 83.15 (4) | Zn4ii—Zn7—Zn10xiii | 69.10 (6) |
Zn3—Nd2—Zn8 | 46.52 (3) | Si1—Zn7—Zn9 | 110.24 (9) |
Zn2iii—Nd2—Zn8 | 129.16 (3) | Zn4xiii—Zn7—Zn9 | 87.19 (6) |
Zn1iv—Nd2—Zn8 | 140.31 (7) | Zn4ii—Zn7—Zn9 | 87.19 (6) |
Si1iv—Nd2—Zn8 | 140.31 (7) | Zn10xiii—Zn7—Zn9 | 127.63 (8) |
Zn1iii—Nd2—Zn8 | 81.18 (5) | Si1—Zn7—Nd1v | 68.72 (6) |
Si1iii—Nd2—Zn8 | 81.18 (5) | Zn4xiii—Zn7—Nd1v | 68.12 (4) |
Zn5—Nd2—Zn8 | 82.41 (4) | Zn4ii—Zn7—Nd1v | 149.96 (8) |
Zn6iv—Nd2—Zn8 | 173.20 (5) | Zn10xiii—Zn7—Nd1v | 134.70 (2) |
Zn6iii—Nd2—Zn8 | 96.52 (3) | Zn9—Zn7—Nd1v | 63.89 (4) |
Zn3—Nd2—Zn8i | 46.52 (3) | Si1—Zn7—Nd1 | 68.72 (6) |
Zn2iii—Nd2—Zn8i | 129.16 (3) | Zn4xiii—Zn7—Nd1 | 149.96 (8) |
Zn1iv—Nd2—Zn8i | 81.18 (5) | Zn4ii—Zn7—Nd1 | 68.12 (4) |
Si1iv—Nd2—Zn8i | 81.18 (5) | Zn10xiii—Zn7—Nd1 | 134.70 (2) |
Zn1iii—Nd2—Zn8i | 140.31 (7) | Zn9—Zn7—Nd1 | 63.89 (4) |
Si1iii—Nd2—Zn8i | 140.31 (7) | Nd1v—Zn7—Nd1 | 90.57 (5) |
Zn5—Nd2—Zn8i | 82.41 (4) | Si1—Zn7—Nd3xiii | 173.26 (9) |
Zn6iv—Nd2—Zn8i | 96.52 (3) | Zn4xiii—Zn7—Nd3xiii | 62.78 (5) |
Zn6iii—Nd2—Zn8i | 173.20 (5) | Zn4ii—Zn7—Nd3xiii | 62.78 (5) |
Zn8—Nd2—Zn8i | 83.00 (4) | Zn10xiii—Zn7—Nd3xiii | 64.60 (5) |
Zn3—Nd2—Zn10 | 54.69 (3) | Zn9—Zn7—Nd3xiii | 63.03 (5) |
Zn2iii—Nd2—Zn10 | 130.36 (3) | Nd1v—Zn7—Nd3xiii | 106.84 (4) |
Zn1iv—Nd2—Zn10 | 101.98 (6) | Nd1—Zn7—Nd3xiii | 106.84 (4) |
Si1iv—Nd2—Zn10 | 101.98 (6) | Si1—Zn7—Nd4v | 66.88 (6) |
Zn1iii—Nd2—Zn10 | 44.56 (6) | Zn4xiii—Zn7—Nd4v | 61.73 (4) |
Si1iii—Nd2—Zn10 | 44.56 (6) | Zn4ii—Zn7—Nd4v | 133.72 (7) |
Zn5—Nd2—Zn10 | 126.70 (4) | Zn10xiii—Zn7—Nd4v | 70.96 (4) |
Zn6iv—Nd2—Zn10 | 140.35 (5) | Zn9—Zn7—Nd4v | 136.77 (2) |
Zn6iii—Nd2—Zn10 | 83.87 (3) | Nd1v—Zn7—Nd4v | 76.31 (2) |
Zn8—Nd2—Zn10 | 46.07 (4) | Nd1—Zn7—Nd4v | 135.51 (6) |
Zn8i—Nd2—Zn10 | 100.47 (4) | Nd3xiii—Zn7—Nd4v | 117.65 (4) |
Zn3v—Nd3—Zn3 | 92.01 (5) | Si1—Zn7—Nd4 | 66.88 (6) |
Zn3v—Nd3—Zn2v | 51.83 (4) | Zn4xiii—Zn7—Nd4 | 133.72 (7) |
Zn3—Nd3—Zn2v | 114.42 (5) | Zn4ii—Zn7—Nd4 | 61.73 (4) |
Zn3v—Nd3—Zn2 | 114.41 (5) | Zn10xiii—Zn7—Nd4 | 70.96 (4) |
Zn3—Nd3—Zn2 | 51.83 (4) | Zn9—Zn7—Nd4 | 136.77 (2) |
Zn2v—Nd3—Zn2 | 91.58 (5) | Nd1v—Zn7—Nd4 | 135.51 (6) |
Zn3v—Nd3—Zn5vi | 159.21 (6) | Nd1—Zn7—Nd4 | 76.31 (2) |
Zn3—Nd3—Zn5vi | 84.59 (4) | Nd3xiii—Zn7—Nd4 | 117.65 (4) |
Zn2v—Nd3—Zn5vi | 147.15 (5) | Nd4v—Zn7—Nd4 | 83.88 (4) |
Zn2—Nd3—Zn5vi | 79.32 (4) | Zn9—Zn8—Zn3 | 118.64 (5) |
Zn3v—Nd3—Zn5vii | 84.59 (4) | Zn9—Zn8—Zn3v | 118.64 (5) |
Zn3—Nd3—Zn5vii | 159.21 (6) | Zn3—Zn8—Zn3v | 121.56 (9) |
Zn2v—Nd3—Zn5vii | 79.32 (4) | Zn9—Zn8—Zn10 | 124.09 (9) |
Zn2—Nd3—Zn5vii | 147.15 (5) | Zn3—Zn8—Zn10 | 69.81 (5) |
Zn5vi—Nd3—Zn5vii | 91.33 (5) | Zn3v—Zn8—Zn10 | 69.81 (5) |
Zn3v—Nd3—Zn4v | 48.08 (4) | Zn9—Zn8—Zn6 | 107.09 (8) |
Zn3—Nd3—Zn4v | 110.94 (5) | Zn3—Zn8—Zn6 | 86.99 (6) |
Zn2v—Nd3—Zn4v | 84.79 (4) | Zn3v—Zn8—Zn6 | 86.99 (6) |
Zn2—Nd3—Zn4v | 158.60 (6) | Zn10—Zn8—Zn6 | 128.82 (8) |
Zn5vi—Nd3—Zn4v | 114.37 (5) | Zn9—Zn8—Nd1v | 66.75 (4) |
Zn5vii—Nd3—Zn4v | 52.64 (5) | Zn3—Zn8—Nd1v | 149.42 (8) |
Zn3v—Nd3—Zn4 | 110.94 (5) | Zn3v—Zn8—Nd1v | 68.03 (4) |
Zn3—Nd3—Zn4 | 48.08 (4) | Zn10—Zn8—Nd1v | 134.97 (2) |
Zn2v—Nd3—Zn4 | 158.60 (6) | Zn6—Zn8—Nd1v | 63.63 (4) |
Zn2—Nd3—Zn4 | 84.80 (4) | Zn9—Zn8—Nd1 | 66.75 (4) |
Zn5vi—Nd3—Zn4 | 52.64 (5) | Zn3—Zn8—Nd1 | 68.03 (4) |
Zn5vii—Nd3—Zn4 | 114.37 (5) | Zn3v—Zn8—Nd1 | 149.42 (8) |
Zn4v—Nd3—Zn4 | 90.91 (5) | Zn10—Zn8—Nd1 | 134.97 (2) |
Zn3v—Nd3—Zn11vii | 133.94 (3) | Zn6—Zn8—Nd1 | 63.63 (4) |
Zn3—Nd3—Zn11vii | 133.95 (3) | Nd1v—Zn8—Nd1 | 90.07 (5) |
Zn2v—Nd3—Zn11vii | 96.82 (4) | Zn9—Zn8—Nd3 | 171.10 (8) |
Zn2—Nd3—Zn11vii | 96.82 (4) | Zn3—Zn8—Nd3 | 62.66 (5) |
Zn5vi—Nd3—Zn11vii | 53.84 (3) | Zn3v—Zn8—Nd3 | 62.66 (5) |
Zn5vii—Nd3—Zn11vii | 53.84 (3) | Zn10—Zn8—Nd3 | 64.81 (5) |
Zn4v—Nd3—Zn11vii | 104.55 (4) | Zn6—Zn8—Nd3 | 64.01 (5) |
Zn4—Nd3—Zn11vii | 104.55 (4) | Nd1v—Zn8—Nd3 | 107.42 (4) |
Zn3v—Nd3—Zn11viii | 104.06 (5) | Nd1—Zn8—Nd3 | 107.42 (4) |
Zn3—Nd3—Zn11viii | 104.06 (5) | Zn9—Zn8—Nd2v | 71.75 (5) |
Zn2v—Nd3—Zn11viii | 54.06 (3) | Zn3—Zn8—Nd2v | 131.72 (8) |
Zn2—Nd3—Zn11viii | 54.06 (3) | Zn3v—Zn8—Nd2v | 60.59 (5) |
Zn5vi—Nd3—Zn11viii | 96.65 (4) | Zn10—Zn8—Nd2v | 67.17 (4) |
Zn5vii—Nd3—Zn11viii | 96.65 (4) | Zn6—Zn8—Nd2v | 137.93 (2) |
Zn4v—Nd3—Zn11viii | 134.51 (3) | Nd1v—Zn8—Nd2v | 78.83 (3) |
Zn4—Nd3—Zn11viii | 134.51 (3) | Nd1—Zn8—Nd2v | 138.07 (6) |
Zn11vii—Nd3—Zn11viii | 67.13 (6) | Nd3—Zn8—Nd2v | 114.49 (4) |
Zn3v—Nd3—Zn10 | 56.06 (4) | Zn9—Zn8—Nd2 | 71.75 (5) |
Zn3—Nd3—Zn10 | 56.06 (4) | Zn3—Zn8—Nd2 | 60.59 (5) |
Zn2v—Nd3—Zn10 | 106.68 (4) | Zn3v—Zn8—Nd2 | 131.72 (8) |
Zn2—Nd3—Zn10 | 106.68 (4) | Zn10—Zn8—Nd2 | 67.17 (4) |
Zn5vi—Nd3—Zn10 | 106.16 (4) | Zn6—Zn8—Nd2 | 137.93 (2) |
Zn5vii—Nd3—Zn10 | 106.16 (4) | Nd1v—Zn8—Nd2 | 138.07 (6) |
Zn4v—Nd3—Zn10 | 54.88 (4) | Nd1—Zn8—Nd2 | 78.83 (3) |
Zn4—Nd3—Zn10 | 54.88 (4) | Nd3—Zn8—Nd2 | 114.49 (4) |
Zn11vii—Nd3—Zn10 | 145.89 (5) | Nd2v—Zn8—Nd2 | 83.00 (4) |
Zn11viii—Nd3—Zn10 | 146.98 (5) | Zn8—Zn9—Zn5v | 117.91 (5) |
Zn3v—Nd3—Zn9vii | 118.91 (4) | Zn8—Zn9—Zn5 | 117.91 (5) |
Zn3—Nd3—Zn9vii | 118.91 (4) | Zn5v—Zn9—Zn5 | 120.23 (9) |
Zn2v—Nd3—Zn9vii | 126.29 (3) | Zn8—Zn9—Zn11 | 122.92 (9) |
Zn2—Nd3—Zn9vii | 126.29 (3) | Zn5v—Zn9—Zn11 | 66.56 (5) |
Zn5vi—Nd3—Zn9vii | 47.76 (3) | Zn5—Zn9—Zn11 | 66.56 (5) |
Zn5vii—Nd3—Zn9vii | 47.76 (3) | Zn8—Zn9—Zn7 | 106.11 (8) |
Zn4v—Nd3—Zn9vii | 71.23 (4) | Zn5v—Zn9—Zn7 | 91.97 (6) |
Zn4—Nd3—Zn9vii | 71.23 (4) | Zn5—Zn9—Zn7 | 91.97 (6) |
Zn11vii—Nd3—Zn9vii | 48.28 (4) | Zn11—Zn9—Zn7 | 130.97 (8) |
Zn11viii—Nd3—Zn9vii | 115.41 (5) | Zn8—Zn9—Nd1v | 66.49 (4) |
Zn10—Nd3—Zn9vii | 97.60 (5) | Zn5v—Zn9—Nd1v | 71.00 (4) |
Zn4viii—Nd4—Zn4ii | 180.0 | Zn5—Zn9—Nd1v | 154.02 (7) |
Zn4viii—Nd4—Zn1ix | 85.97 (6) | Zn11—Zn9—Nd1v | 135.06 (3) |
Zn4ii—Nd4—Zn1ix | 94.03 (6) | Zn7—Zn9—Nd1v | 63.17 (4) |
Zn4viii—Nd4—Zn1i | 94.03 (6) | Zn8—Zn9—Nd1 | 66.49 (4) |
Zn4ii—Nd4—Zn1i | 85.97 (6) | Zn5v—Zn9—Nd1 | 154.02 (7) |
Zn1ix—Nd4—Zn1i | 180.0 | Zn5—Zn9—Nd1 | 71.00 (4) |
Zn4viii—Nd4—Si1ix | 85.97 (6) | Zn11—Zn9—Nd1 | 135.06 (3) |
Zn4ii—Nd4—Si1ix | 94.03 (6) | Zn7—Zn9—Nd1 | 63.17 (4) |
Zn1ix—Nd4—Si1ix | 0.00 (7) | Nd1v—Zn9—Nd1 | 89.85 (5) |
Zn1i—Nd4—Si1ix | 180.0 | Zn8—Zn9—Nd3xiii | 172.35 (8) |
Zn4viii—Nd4—Si1i | 94.03 (6) | Zn5v—Zn9—Nd3xiii | 63.83 (5) |
Zn4ii—Nd4—Si1i | 85.97 (6) | Zn5—Zn9—Nd3xiii | 63.83 (5) |
Zn1ix—Nd4—Si1i | 180.0 | Zn11—Zn9—Nd3xiii | 64.73 (6) |
Zn1i—Nd4—Si1i | 0.00 (12) | Zn7—Zn9—Nd3xiii | 66.24 (5) |
Si1ix—Nd4—Si1i | 180.0 | Nd1v—Zn9—Nd3xiii | 108.51 (4) |
Zn4viii—Nd4—Zn1x | 85.97 (6) | Nd1—Zn9—Nd3xiii | 108.51 (4) |
Zn4ii—Nd4—Zn1x | 94.03 (6) | Zn8—Zn9—Nd2v | 65.59 (5) |
Zn1ix—Nd4—Zn1x | 85.05 (7) | Zn5v—Zn9—Nd2v | 62.03 (4) |
Zn1i—Nd4—Zn1x | 94.95 (7) | Zn5—Zn9—Nd2v | 129.26 (7) |
Si1ix—Nd4—Zn1x | 85.05 (7) | Zn11—Zn9—Nd2v | 71.16 (5) |
Si1i—Nd4—Zn1x | 94.95 (7) | Zn7—Zn9—Nd2v | 137.85 (3) |
Zn4viii—Nd4—Si1x | 85.97 (6) | Nd1v—Zn9—Nd2v | 76.59 (3) |
Zn4ii—Nd4—Si1x | 94.03 (6) | Nd1—Zn9—Nd2v | 131.72 (6) |
Zn1ix—Nd4—Si1x | 85.05 (7) | Nd3xiii—Zn9—Nd2v | 119.76 (4) |
Zn1i—Nd4—Si1x | 94.95 (7) | Zn8—Zn9—Nd2 | 65.59 (5) |
Si1ix—Nd4—Si1x | 85.05 (7) | Zn5v—Zn9—Nd2 | 129.26 (7) |
Si1i—Nd4—Si1x | 94.95 (7) | Zn5—Zn9—Nd2 | 62.03 (4) |
Zn1x—Nd4—Si1x | 0.00 (12) | Zn11—Zn9—Nd2 | 71.16 (5) |
Zn4viii—Nd4—Si1 | 94.03 (6) | Zn7—Zn9—Nd2 | 137.85 (3) |
Zn4ii—Nd4—Si1 | 85.97 (6) | Nd1v—Zn9—Nd2 | 131.72 (6) |
Zn1ix—Nd4—Si1 | 94.95 (7) | Nd1—Zn9—Nd2 | 76.59 (3) |
Zn1i—Nd4—Si1 | 85.05 (7) | Nd3xiii—Zn9—Nd2 | 119.76 (4) |
Si1ix—Nd4—Si1 | 94.95 (7) | Nd2v—Zn9—Nd2 | 78.90 (4) |
Si1i—Nd4—Si1 | 85.05 (7) | Zn1iii—Zn10—Si1iii | 0.00 (13) |
Zn1x—Nd4—Si1 | 180.0 | Zn1iii—Zn10—Zn7vii | 111.50 (10) |
Si1x—Nd4—Si1 | 180.0 | Si1iii—Zn10—Zn7vii | 111.50 (10) |
Zn4viii—Nd4—Zn7ix | 46.70 (3) | Zn1iii—Zn10—Zn8 | 112.61 (10) |
Zn4ii—Nd4—Zn7ix | 133.30 (3) | Si1iii—Zn10—Zn8 | 112.61 (10) |
Zn1ix—Nd4—Zn7ix | 44.67 (6) | Zn7vii—Zn10—Zn8 | 135.89 (9) |
Zn1i—Nd4—Zn7ix | 135.33 (6) | Zn1iii—Zn10—Zn4v | 119.05 (6) |
Si1ix—Nd4—Zn7ix | 44.67 (6) | Si1iii—Zn10—Zn4v | 119.05 (6) |
Si1i—Nd4—Zn7ix | 135.33 (6) | Zn7vii—Zn10—Zn4v | 54.77 (4) |
Zn1x—Nd4—Zn7ix | 101.09 (5) | Zn8—Zn10—Zn4v | 102.07 (6) |
Si1x—Nd4—Zn7ix | 101.09 (5) | Zn1iii—Zn10—Zn4 | 119.05 (6) |
Si1—Nd4—Zn7ix | 78.91 (5) | Si1iii—Zn10—Zn4 | 119.05 (6) |
Zn4viii—Nd4—Zn7i | 133.30 (3) | Zn7vii—Zn10—Zn4 | 54.77 (4) |
Zn4ii—Nd4—Zn7i | 46.70 (3) | Zn8—Zn10—Zn4 | 102.07 (6) |
Zn1ix—Nd4—Zn7i | 135.33 (6) | Zn4v—Zn10—Zn4 | 99.26 (8) |
Zn1i—Nd4—Zn7i | 44.67 (6) | Zn1iii—Zn10—Zn3 | 120.07 (6) |
Si1ix—Nd4—Zn7i | 135.33 (6) | Si1iii—Zn10—Zn3 | 120.07 (6) |
Si1i—Nd4—Zn7i | 44.67 (6) | Zn7vii—Zn10—Zn3 | 102.57 (6) |
Zn1x—Nd4—Zn7i | 78.91 (5) | Zn8—Zn10—Zn3 | 53.79 (4) |
Si1x—Nd4—Zn7i | 78.91 (5) | Zn4v—Zn10—Zn3 | 120.88 (7) |
Si1—Nd4—Zn7i | 101.09 (5) | Zn4—Zn10—Zn3 | 50.95 (5) |
Zn7ix—Nd4—Zn7i | 180.0 | Zn1iii—Zn10—Zn3v | 120.07 (6) |
Zn10viii—Si1—Zn7 | 126.36 (13) | Si1iii—Zn10—Zn3v | 120.07 (6) |
Zn10viii—Si1—Zn6 | 125.65 (13) | Zn7vii—Zn10—Zn3v | 102.57 (6) |
Zn7—Si1—Zn6 | 107.99 (12) | Zn8—Zn10—Zn3v | 53.79 (4) |
Zn10viii—Si1—Nd2viii | 71.40 (7) | Zn4v—Zn10—Zn3v | 50.95 (5) |
Zn7—Si1—Nd2viii | 134.98 (4) | Zn4—Zn10—Zn3v | 120.88 (7) |
Zn6—Si1—Nd2viii | 70.33 (6) | Zn3—Zn10—Zn3v | 97.24 (7) |
Zn10viii—Si1—Nd2xi | 71.40 (7) | Zn1iii—Zn10—Nd3 | 179.97 (10) |
Zn7—Si1—Nd2xi | 134.98 (4) | Si1iii—Zn10—Nd3 | 179.97 (10) |
Zn6—Si1—Nd2xi | 70.33 (6) | Zn7vii—Zn10—Nd3 | 68.53 (6) |
Nd2viii—Si1—Nd2xi | 88.28 (8) | Zn8—Zn10—Nd3 | 67.36 (5) |
Zn10viii—Si1—Nd1 | 136.42 (4) | Zn4v—Zn10—Nd3 | 60.97 (4) |
Zn7—Si1—Nd1 | 64.69 (6) | Zn4—Zn10—Nd3 | 60.97 (4) |
Zn6—Si1—Nd1 | 64.90 (6) | Zn3—Zn10—Nd3 | 59.91 (4) |
Nd2viii—Si1—Nd1 | 75.49 (4) | Zn3v—Zn10—Nd3 | 59.91 (4) |
Nd2xi—Si1—Nd1 | 135.20 (10) | Zn1iii—Zn10—Nd2v | 64.04 (6) |
Zn10viii—Si1—Nd1v | 136.42 (4) | Si1iii—Zn10—Nd2v | 64.04 (6) |
Zn7—Si1—Nd1v | 64.69 (6) | Zn7vii—Zn10—Nd2v | 136.71 (3) |
Zn6—Si1—Nd1v | 64.90 (6) | Zn8—Zn10—Nd2v | 66.76 (4) |
Nd2viii—Si1—Nd1v | 135.20 (10) | Zn4v—Zn10—Nd2v | 88.32 (3) |
Nd2xi—Si1—Nd1v | 75.49 (4) | Zn4—Zn10—Nd2v | 167.78 (6) |
Nd1—Si1—Nd1v | 87.16 (8) | Zn3—Zn10—Nd2v | 116.87 (6) |
Zn10viii—Si1—Nd4v | 72.74 (7) | Zn3v—Zn10—Nd2v | 57.37 (4) |
Zn7—Si1—Nd4v | 68.45 (6) | Nd3—Zn10—Nd2v | 115.94 (4) |
Zn6—Si1—Nd4v | 136.15 (4) | Zn1iii—Zn10—Nd2 | 64.04 (6) |
Nd2viii—Si1—Nd4v | 144.08 (10) | Si1iii—Zn10—Nd2 | 64.04 (6) |
Nd2xi—Si1—Nd4v | 82.44 (3) | Zn7vii—Zn10—Nd2 | 136.71 (3) |
Nd1—Si1—Nd4v | 133.04 (10) | Zn8—Zn10—Nd2 | 66.76 (4) |
Nd1v—Si1—Nd4v | 75.56 (3) | Zn4v—Zn10—Nd2 | 167.78 (6) |
Zn10viii—Si1—Nd4 | 72.74 (7) | Zn4—Zn10—Nd2 | 88.33 (3) |
Zn7—Si1—Nd4 | 68.45 (6) | Zn3—Zn10—Nd2 | 57.37 (4) |
Zn6—Si1—Nd4 | 136.15 (4) | Zn3v—Zn10—Nd2 | 116.88 (6) |
Nd2viii—Si1—Nd4 | 82.44 (3) | Nd3—Zn10—Nd2 | 115.94 (4) |
Nd2xi—Si1—Nd4 | 144.08 (10) | Nd2v—Zn10—Nd2 | 82.69 (4) |
Nd1—Si1—Nd4 | 75.56 (3) | Zn1iii—Zn10—Nd4vi | 64.24 (6) |
Nd1v—Si1—Nd4 | 133.04 (9) | Si1iii—Zn10—Nd4vi | 64.24 (6) |
Nd4v—Si1—Nd4 | 85.05 (7) | Zn7vii—Zn10—Nd4vi | 64.37 (4) |
Zn6—Zn2—Zn6i | 119.41 (9) | Zn8—Zn10—Nd4vi | 138.97 (3) |
Zn6—Zn2—Zn12 | 117.41 (5) | Zn4v—Zn10—Nd4vi | 115.08 (6) |
Zn6i—Zn2—Zn12 | 117.41 (5) | Zn4—Zn10—Nd4vi | 56.81 (4) |
Zn6—Zn2—Zn3 | 88.76 (6) | Zn3—Zn10—Nd4vi | 90.79 (3) |
Zn6i—Zn2—Zn3 | 88.76 (6) | Zn3v—Zn10—Nd4vi | 166.03 (6) |
Zn12—Zn2—Zn3 | 116.60 (7) | Nd3—Zn10—Nd4vi | 115.78 (4) |
Zn6—Zn2—Zn11viii | 57.44 (5) | Nd2v—Zn10—Nd4vi | 128.23 (5) |
Zn6i—Zn2—Zn11viii | 143.51 (9) | Nd2—Zn10—Nd4vi | 77.09 (2) |
Zn12—Zn2—Zn11viii | 61.70 (5) | Zn9—Zn11—Zn6iii | 112.98 (9) |
Zn3—Zn2—Zn11viii | 125.61 (5) | Zn9—Zn11—Zn12xiii | 110.16 (5) |
Zn6—Zn2—Zn11xii | 143.51 (9) | Zn6iii—Zn11—Zn12xiii | 109.87 (5) |
Zn6i—Zn2—Zn11xii | 57.44 (5) | Zn9—Zn11—Zn12ii | 110.16 (5) |
Zn12—Zn2—Zn11xii | 61.70 (5) | Zn6iii—Zn11—Zn12ii | 109.87 (5) |
Zn3—Zn2—Zn11xii | 125.61 (5) | Zn12xiii—Zn11—Zn12ii | 103.37 (6) |
Zn11viii—Zn2—Zn11xii | 102.01 (8) | Zn9—Zn11—Zn5v | 55.92 (4) |
Zn6—Zn2—Nd3 | 69.15 (4) | Zn6iii—Zn11—Zn5v | 117.91 (5) |
Zn6i—Zn2—Nd3 | 151.87 (8) | Zn12xiii—Zn11—Zn5v | 55.91 (4) |
Zn12—Zn2—Nd3 | 73.37 (4) | Zn12ii—Zn11—Zn5v | 131.89 (7) |
Zn3—Zn2—Nd3 | 63.87 (4) | Zn9—Zn11—Zn5 | 55.92 (4) |
Zn11viii—Zn2—Nd3 | 64.55 (4) | Zn6iii—Zn11—Zn5 | 117.91 (5) |
Zn11xii—Zn2—Nd3 | 133.20 (7) | Zn12xiii—Zn11—Zn5 | 131.89 (7) |
Zn6—Zn2—Nd3i | 151.87 (8) | Zn12ii—Zn11—Zn5 | 55.91 (4) |
Zn6i—Zn2—Nd3i | 69.15 (4) | Zn5v—Zn11—Zn5 | 103.02 (8) |
Zn12—Zn2—Nd3i | 73.37 (4) | Zn9—Zn11—Zn2iii | 118.68 (5) |
Zn3—Zn2—Nd3i | 63.87 (4) | Zn6iii—Zn11—Zn2iii | 55.80 (4) |
Zn11viii—Zn2—Nd3i | 133.20 (7) | Zn12xiii—Zn11—Zn2iii | 130.86 (7) |
Zn11xii—Zn2—Nd3i | 64.55 (4) | Zn12ii—Zn11—Zn2iii | 55.56 (4) |
Nd3—Zn2—Nd3i | 91.58 (5) | Zn5v—Zn11—Zn2iii | 170.92 (8) |
Zn6—Zn2—Nd2viii | 71.13 (5) | Zn5—Zn11—Zn2iii | 76.75 (4) |
Zn6i—Zn2—Nd2viii | 71.13 (5) | Zn9—Zn11—Zn2xiv | 118.68 (5) |
Zn12—Zn2—Nd2viii | 105.74 (6) | Zn6iii—Zn11—Zn2xiv | 55.80 (4) |
Zn3—Zn2—Nd2viii | 137.67 (8) | Zn12xiii—Zn11—Zn2xiv | 55.56 (4) |
Zn11viii—Zn2—Nd2viii | 74.35 (5) | Zn12ii—Zn11—Zn2xiv | 130.86 (7) |
Zn11xii—Zn2—Nd2viii | 74.35 (5) | Zn5v—Zn11—Zn2xiv | 76.75 (4) |
Nd3—Zn2—Nd2viii | 133.60 (3) | Zn5—Zn11—Zn2xiv | 170.92 (8) |
Nd3i—Zn2—Nd2viii | 133.60 (3) | Zn2iii—Zn11—Zn2xiv | 102.01 (8) |
Zn6—Zn2—Nd1 | 62.64 (5) | Zn9—Zn11—Nd3xiii | 66.99 (6) |
Zn6i—Zn2—Nd1 | 62.64 (5) | Zn6iii—Zn11—Nd3xiii | 179.97 (8) |
Zn12—Zn2—Nd1 | 179.78 (7) | Zn12xiii—Zn11—Nd3xiii | 70.15 (4) |
Zn3—Zn2—Nd1 | 63.18 (5) | Zn12ii—Zn11—Nd3xiii | 70.15 (4) |
Zn11viii—Zn2—Nd1 | 118.40 (5) | Zn5v—Zn11—Nd3xiii | 62.08 (4) |
Zn11xii—Zn2—Nd1 | 118.40 (5) | Zn5—Zn11—Nd3xiii | 62.07 (4) |
Nd3—Zn2—Nd1 | 106.48 (5) | Zn2iii—Zn11—Nd3xiii | 124.21 (5) |
Nd3i—Zn2—Nd1 | 106.48 (5) | Zn2xiv—Zn11—Nd3xiii | 124.21 (5) |
Nd2viii—Zn2—Nd1 | 74.49 (4) | Zn9—Zn11—Nd3iii | 179.86 (8) |
Zn4—Zn3—Zn8i | 116.50 (5) | Zn6iii—Zn11—Nd3iii | 67.16 (5) |
Zn4—Zn3—Zn8 | 116.50 (5) | Zn12xiii—Zn11—Nd3iii | 69.76 (3) |
Zn8i—Zn3—Zn8 | 121.56 (9) | Zn12ii—Zn11—Nd3iii | 69.76 (3) |
Zn4—Zn3—Zn2 | 106.43 (8) | Zn5v—Zn11—Nd3iii | 124.04 (5) |
Zn8i—Zn3—Zn2 | 93.65 (7) | Zn5—Zn11—Nd3iii | 124.04 (5) |
Zn8—Zn3—Zn2 | 93.65 (7) | Zn2iii—Zn11—Nd3iii | 61.39 (4) |
Zn4—Zn3—Zn10i | 63.61 (5) | Zn2xiv—Zn11—Nd3iii | 61.39 (4) |
Zn8i—Zn3—Zn10i | 56.40 (5) | Nd3xiii—Zn11—Nd3iii | 112.87 (6) |
Zn8—Zn3—Zn10i | 139.14 (9) | Zn9—Zn11—Nd2 | 65.89 (4) |
Zn2—Zn3—Zn10i | 126.52 (5) | Zn6iii—Zn11—Nd2 | 62.40 (4) |
Zn4—Zn3—Zn10 | 63.61 (5) | Zn12xiii—Zn11—Nd2 | 165.98 (5) |
Zn8i—Zn3—Zn10 | 139.14 (9) | Zn12ii—Zn11—Nd2 | 90.489 (17) |
Zn8—Zn3—Zn10 | 56.40 (5) | Zn5v—Zn11—Nd2 | 115.72 (6) |
Zn2—Zn3—Zn10 | 126.52 (5) | Zn5—Zn11—Nd2 | 58.31 (4) |
Zn10i—Zn3—Zn10 | 97.24 (7) | Zn2iii—Zn11—Nd2 | 56.25 (4) |
Zn4—Zn3—Nd2 | 103.14 (7) | Zn2xiv—Zn11—Nd2 | 113.39 (6) |
Zn8i—Zn3—Nd2 | 72.89 (5) | Nd3xiii—Zn11—Nd2 | 117.58 (4) |
Zn8—Zn3—Nd2 | 72.89 (5) | Nd3iii—Zn11—Nd2 | 114.21 (4) |
Zn2—Zn3—Nd2 | 150.43 (8) | Zn9—Zn11—Nd2v | 65.89 (4) |
Zn10i—Zn3—Nd2 | 67.95 (5) | Zn6iii—Zn11—Nd2v | 62.40 (4) |
Zn10—Zn3—Nd2 | 67.95 (5) | Zn12xiii—Zn11—Nd2v | 90.489 (17) |
Zn4—Zn3—Nd3 | 66.56 (4) | Zn12ii—Zn11—Nd2v | 165.98 (5) |
Zn8i—Zn3—Nd3 | 156.65 (8) | Zn5v—Zn11—Nd2v | 58.31 (4) |
Zn8—Zn3—Nd3 | 70.27 (4) | Zn5—Zn11—Nd2v | 115.72 (6) |
Zn2—Zn3—Nd3 | 64.30 (4) | Zn2iii—Zn11—Nd2v | 113.39 (6) |
Zn10i—Zn3—Nd3 | 129.91 (7) | Zn2xiv—Zn11—Nd2v | 56.25 (4) |
Zn10—Zn3—Nd3 | 64.02 (4) | Nd3xiii—Zn11—Nd2v | 117.58 (4) |
Nd2—Zn3—Nd3 | 130.16 (4) | Nd3iii—Zn11—Nd2v | 114.21 (4) |
Zn4—Zn3—Nd3i | 66.56 (4) | Nd2—Zn11—Nd2v | 75.59 (4) |
Zn8i—Zn3—Nd3i | 70.27 (4) | Zn2xv—Zn12—Zn2 | 180.0 |
Zn8—Zn3—Nd3i | 156.65 (8) | Zn2xv—Zn12—Zn5viii | 96.48 (5) |
Zn2—Zn3—Nd3i | 64.30 (4) | Zn2—Zn12—Zn5viii | 83.52 (5) |
Zn10i—Zn3—Nd3i | 64.02 (4) | Zn2xv—Zn12—Zn5vi | 83.52 (5) |
Zn10—Zn3—Nd3i | 129.91 (7) | Zn2—Zn12—Zn5vi | 96.48 (5) |
Nd2—Zn3—Nd3i | 130.16 (4) | Zn5viii—Zn12—Zn5vi | 180.00 (6) |
Nd3—Zn3—Nd3i | 92.01 (5) | Zn2xv—Zn12—Zn11viii | 117.27 (4) |
Zn4—Zn3—Nd1 | 174.68 (8) | Zn2—Zn12—Zn11viii | 62.73 (4) |
Zn8i—Zn3—Nd1 | 64.79 (5) | Zn5viii—Zn12—Zn11viii | 62.18 (4) |
Zn8—Zn3—Nd1 | 64.79 (5) | Zn5vi—Zn12—Zn11viii | 117.82 (4) |
Zn2—Zn3—Nd1 | 68.25 (6) | Zn2xv—Zn12—Zn11vi | 62.73 (4) |
Zn10i—Zn3—Nd1 | 119.21 (5) | Zn2—Zn12—Zn11vi | 117.27 (4) |
Zn10—Zn3—Nd1 | 119.21 (5) | Zn5viii—Zn12—Zn11vi | 117.82 (4) |
Nd2—Zn3—Nd1 | 82.18 (5) | Zn5vi—Zn12—Zn11vi | 62.18 (4) |
Nd3—Zn3—Nd1 | 110.08 (5) | Zn11viii—Zn12—Zn11vi | 180.00 (6) |
Nd3i—Zn3—Nd1 | 110.08 (5) | Zn2xv—Zn12—Zn11xii | 117.27 (4) |
Zn3—Zn4—Zn7vi | 117.40 (5) | Zn2—Zn12—Zn11xii | 62.73 (4) |
Zn3—Zn4—Zn7vii | 117.40 (5) | Zn5viii—Zn12—Zn11xii | 62.18 (4) |
Zn7vi—Zn4—Zn7vii | 121.23 (10) | Zn5vi—Zn12—Zn11xii | 117.82 (4) |
Zn3—Zn4—Zn5vi | 103.99 (8) | Zn11viii—Zn12—Zn11xii | 103.37 (6) |
Zn7vi—Zn4—Zn5vi | 93.10 (6) | Zn11vi—Zn12—Zn11xii | 76.63 (6) |
Zn7vii—Zn4—Zn5vi | 93.10 (6) | Zn2xv—Zn12—Zn11vii | 62.73 (4) |
Zn3—Zn4—Zn10i | 65.44 (5) | Zn2—Zn12—Zn11vii | 117.27 (4) |
Zn7vi—Zn4—Zn10i | 56.13 (5) | Zn5viii—Zn12—Zn11vii | 117.82 (4) |
Zn7vii—Zn4—Zn10i | 140.39 (8) | Zn5vi—Zn12—Zn11vii | 62.18 (4) |
Zn5vi—Zn4—Zn10i | 125.63 (4) | Zn11viii—Zn12—Zn11vii | 76.63 (6) |
Zn3—Zn4—Zn10 | 65.44 (5) | Zn11vi—Zn12—Zn11vii | 103.37 (6) |
Zn7vi—Zn4—Zn10 | 140.39 (8) | Zn11xii—Zn12—Zn11vii | 180.00 (6) |
Zn7vii—Zn4—Zn10 | 56.13 (5) | Zn2xv—Zn12—Nd3 | 120.73 (3) |
Zn5vi—Zn4—Zn10 | 125.63 (4) | Zn2—Zn12—Nd3 | 59.27 (3) |
Zn10i—Zn4—Zn10 | 99.26 (8) | Zn5viii—Zn12—Nd3 | 120.61 (3) |
Zn3—Zn4—Nd4vi | 109.80 (7) | Zn5vi—Zn12—Nd3 | 59.39 (3) |
Zn7vi—Zn4—Nd4vi | 71.57 (5) | Zn11viii—Zn12—Nd3 | 59.97 (4) |
Zn7vii—Zn4—Nd4vi | 71.57 (5) | Zn11vi—Zn12—Nd3 | 120.03 (4) |
Zn5vi—Zn4—Nd4vi | 146.21 (8) | Zn11xii—Zn12—Nd3 | 120.58 (4) |
Zn10i—Zn4—Nd4vi | 70.93 (5) | Zn11vii—Zn12—Nd3 | 59.42 (4) |
Zn10—Zn4—Nd4vi | 70.93 (5) | Zn2xv—Zn12—Nd3xvi | 59.27 (3) |
Zn3—Zn4—Nd3i | 65.36 (4) | Zn2—Zn12—Nd3xvi | 120.72 (3) |
Zn7vi—Zn4—Nd3i | 70.55 (4) | Zn5viii—Zn12—Nd3xvi | 59.39 (3) |
Zn7vii—Zn4—Nd3i | 155.37 (8) | Zn5vi—Zn12—Nd3xvi | 120.61 (3) |
Zn5vi—Zn4—Nd3i | 63.48 (4) | Zn11viii—Zn12—Nd3xvi | 59.42 (4) |
Zn10i—Zn4—Nd3i | 64.15 (4) | Zn11vi—Zn12—Nd3xvi | 120.58 (4) |
Zn10—Zn4—Nd3i | 130.54 (7) | Zn11xii—Zn12—Nd3xvi | 120.02 (4) |
Nd4vi—Zn4—Nd3i | 132.22 (3) | Zn11vii—Zn12—Nd3xvi | 59.98 (4) |
Zn3—Zn4—Nd3 | 65.36 (4) | Nd3—Zn12—Nd3xvi | 99.95 (2) |
Zn7vi—Zn4—Nd3 | 155.37 (8) | Zn2xv—Zn12—Nd3i | 120.73 (3) |
Zn7vii—Zn4—Nd3 | 70.55 (4) | Zn2—Zn12—Nd3i | 59.28 (3) |
Zn5vi—Zn4—Nd3 | 63.48 (4) | Zn5viii—Zn12—Nd3i | 120.61 (3) |
Zn10i—Zn4—Nd3 | 130.54 (7) | Zn5vi—Zn12—Nd3i | 59.39 (3) |
Zn10—Zn4—Nd3 | 64.15 (4) | Zn11viii—Zn12—Nd3i | 120.58 (4) |
Nd4vi—Zn4—Nd3 | 132.22 (3) | Zn11vi—Zn12—Nd3i | 59.42 (4) |
Nd3i—Zn4—Nd3 | 90.91 (5) | Zn11xii—Zn12—Nd3i | 59.98 (4) |
Zn3—Zn4—Nd1vi | 171.69 (8) | Zn11vii—Zn12—Nd3i | 120.02 (4) |
Zn7vi—Zn4—Nd1vi | 64.49 (5) | Nd3—Zn12—Nd3i | 80.05 (2) |
Zn7vii—Zn4—Nd1vi | 64.49 (5) | Nd3xvi—Zn12—Nd3i | 180.0 |
Zn5vi—Zn4—Nd1vi | 67.70 (6) | Zn2xv—Zn12—Nd3xv | 59.27 (3) |
Zn10i—Zn4—Nd1vi | 118.88 (5) | Zn2—Zn12—Nd3xv | 120.72 (3) |
Zn10—Zn4—Nd1vi | 118.89 (5) | Zn5viii—Zn12—Nd3xv | 59.39 (3) |
Nd4vi—Zn4—Nd1vi | 78.51 (4) | Zn5vi—Zn12—Nd3xv | 120.61 (3) |
Nd3i—Zn4—Nd1vi | 109.33 (5) | Zn11viii—Zn12—Nd3xv | 120.02 (4) |
Nd3—Zn4—Nd1vi | 109.33 (5) | Zn11vi—Zn12—Nd3xv | 59.98 (4) |
Zn9i—Zn5—Zn9 | 120.23 (9) | Zn11xii—Zn12—Nd3xv | 59.42 (4) |
Zn9i—Zn5—Zn12ii | 117.52 (5) | Zn11vii—Zn12—Nd3xv | 120.58 (4) |
Zn9—Zn5—Zn12ii | 117.52 (5) | Nd3—Zn12—Nd3xv | 180.0 |
Zn9i—Zn5—Zn4ii | 87.73 (6) | Nd3xvi—Zn12—Nd3xv | 80.04 (2) |
Zn9—Zn5—Zn4ii | 87.73 (6) | Nd3i—Zn12—Nd3xv | 99.96 (2) |
Symmetry codes: (i) x, y, z+1; (ii) −x+1/2, y−1/2, −z+1; (iii) x+1/2, −y+1/2, z; (iv) x+1/2, −y+1/2, z+1; (v) x, y, z−1; (vi) −x+1/2, y+1/2, −z+1; (vii) −x+1/2, y+1/2, −z; (viii) x−1/2, −y+1/2, z; (ix) −x, −y, −z; (x) −x, −y, −z+1; (xi) x−1/2, −y+1/2, z−1; (xii) x−1/2, −y+1/2, z+1; (xiii) −x+1/2, y−1/2, −z; (xiv) x+1/2, −y+1/2, z−1; (xv) −x, −y+1, −z+1; (xvi) −x, −y+1, −z. |
Experimental details
(I) | (II) | (III) | |
Crystal data | |||
Chemical formula | Ce7Zn21.95Si1.05 | Pr7Zn21.09Si1.91 | Nd7Zn21.53Si1.47 |
Mr | 2447.07 | 2418.86 | 2458.20 |
Crystal system, space group | Orthorhombic, Pbam | Orthorhombic, Pbam | Orthorhombic, Pbam |
Temperature (K) | 200 | 200 | 200 |
a, b, c (Å) | 15.504 (5), 17.105 (6), 4.4705 (13) | 15.361 (2), 16.984 (2), 4.4555 (6) | 15.345 (2), 17.001 (2), 4.4330 (6) |
V (Å3) | 1185.6 (6) | 1162.4 (3) | 1156.6 (3) |
Z | 2 | 2 | 2 |
Radiation type | Mo Kα | Mo Kα | Mo Kα |
µ (mm−1) | 34.91 | 35.70 | 37.27 |
Crystal size (mm) | 0.06 × 0.05 × 0.03 | 0.04 × 0.03 × 0.02 | 0.03 × 0.02 × 0.01 |
Data collection | |||
Diffractometer | Bruker APEXII CCD diffractometer | Bruker APEXII CCD diffractometer | Bruker APEXII CCD diffractometer |
Absorption correction | Multi-scan (SADABS; Sheldrick, 2008) | Multi-scan (SADABS; Sheldrick, 2008) | Multi-scan (SADABS; Sheldrick, 2008) |
Tmin, Tmax | 0.463, 0.746 | 0.579, 0.746 | 0.595, 0.746 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 15882, 1649, 1408 | 14240, 1630, 1284 | 15582, 1617, 1147 |
Rint | 0.059 | 0.075 | 0.111 |
(sin θ/λ)max (Å−1) | 0.667 | 0.668 | 0.666 |
Refinement | |||
R[F2 > 2σ(F2)], wR(F2), S | 0.022, 0.034, 1.05 | 0.028, 0.050, 1.08 | 0.035, 0.059, 1.03 |
No. of reflections | 1649 | 1630 | 1617 |
No. of parameters | 95 | 95 | 95 |
w = 1/[σ2(Fo2) + (0.0068P)2] where P = (Fo2 + 2Fc2)/3 | w = 1/[σ2(Fo2) + (0.014P)2] where P = (Fo2 + 2Fc2)/3 | w = 1/[σ2(Fo2) + (0.0082P)2 + 11.3847P] where P = (Fo2 + 2Fc2)/3 | |
Δρmax, Δρmin (e Å−3) | 1.00, −1.41 | 1.77, −1.82 | 2.61, −2.16 |
Computer programs: APEX2 (Bruker, 2007), SAINT (Bruker, 2007), SHELXS97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008), CrystalMaker (Palmer, 2007), publCIF (Westrip, 2010).
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