Ni_5-δSn₄Zn (δ ∼ 0.25) from single-crystal data

Work on the ternary Ni–Sn–Zn phase diagram revealed the existence of the title compound penta­nickel tetra­tin zinc, Ni_3.17Sn_2.67Zn_0.67 [Schmetterer et al. (2012). Inter­metallics, doi:10.1016/j.inter­met.2011.05.025]. It crystallizes in the Ni₅Ga₃Ge₂ structure type (ortho­rhom­bic, Cmcm) and is related to the InNi₂ type (hexa­gonal, P6₃/mmc) of the neighbouring Ni₃Sn₂ high-temperature (HT) phase, but is not a superstructure. The crystal structure was determined using single-crystal X-ray diffraction. Its homogeneity range was characterized using electron microprobe analysis. Phase analysis at various temperatures indicated that the phase decomposes between 1073 and 1173 K, where a more extended ternary solid solution of the Ni₃Sn₂ HT phase was found instead.

S1. Comment

The title compound shown in Fig. 1 crystallizes in a prototype crystal structure originally reported by Bhargava & Schubert (1974) as Ni₂GaGe. This compound was first mentioned by Panday & Schubert (1969) as a NiAs-like phase in Ni–Ga–Ge mixtures. The structure was finally reported by Bhargava & Schubert (1974), where the authors compared this structure to other Ni–Ga–Ge phases but did not discuss the relation to the NiAs structure.

We prefer to call this structure type Ni₅Ga₃Ge₂ since this new designation better fits the stoichiometry and facilitates the comparison of the structure of the prototype phase with the Ni_5-δSn₄Zn (δ ~0.25) phase. The slice parallel to the bc plane of the crystal structure shown in Fig. 2 is in the same direction as the projection chosen by Bhargava & Schubert (1974) in their structure representation.

Seven crystallographically different atomic positions exist in the original Ni₅Ga₃Ge₂ type structure: two eightfold Ni positions (8f), one fourfold Ni (4c), one eightfold (8f) and one fourfold Ga (4b), as well as two fourfold Ge positions (4c). As the structure is fully ordered, there are no mixed occupations.

In Ni_5-δSn₄Zn (δ ~0.25) the atomic arangement is slightly modified to fit the different stoichiometry: three Ni positions, three Sn positions and one Zn position. The Zn atoms can be found on 4a, equivalent to Ga2* (the asterisk * denotes atom positions in the prototype strutcure), while the Ga1* position (8f) is occupied by Sn3 atoms. Sn1 and Sn2 can be found on the Ge1* and Ge2* positions. The three Ni atoms are fully equivalent, with the only difference being the occupation of 0.85 at the Ni2 position found in the investigated crystal. As expected for atoms with neighbouring atom numbers and the use of conventional X-ray sources, a (partial) mixed occupation (Ni,Zn) cannot be ruled out with certainty. Different models with a variable Ni:Zn ratio or fixed anisotropic displacement parameters but variable occupation factors were refined, but the final allocation of Ni and Zn was performed by crystal chemical considerations in consistency with electron microprobe analyses.

The Ni_5-δSn₄Zn (δ ~0.25) structure can be described in different ways based on characteristic features.

(i) It is composed from two alternating atom layers parallel to the bc plane. These atomic layers are identical but offset according to the C-centring (1/2, 1/2, 0). One such layer is shown in Fig. 2.

(ii) The Ni and Zn atoms form chains of the type Ni2—Ni3—Ni1—Zn1—Ni1—Ni3—Ni2 within the atomic layer. These chains are not connected but are offset against each other as shown in Fig. 2.

(iii) The Zn1, Ni1 and Ni3 atoms are each coordinated by six Sn atoms forming more or less distorted octahedra as shown in Fig. 3 (strongly distorted around Ni1, almost regular around Ni3). These octahedra include Sn atoms from three neighbouring atom layers. A full view of the structure based on the Zn-centred octahedra can be seen in Fig. 1. Ni2 is coordinated by only five Sn atoms.

These descriptions are consistent because the Ni and Zn atoms forming the chains are the central atoms of the various octahedra (except Ni2) resulting in a stacking sequence of five octahdera per chain.

The Ni–Sn–Zn phase diagram (Schmetterer et al., 2012) shows the compositional similarity of Ni_5-δSn₄Zn (δ ~0.25) and Ni₃Sn₂ HT [HT = high temperature] with up to approximately 12 at.% Zn dissolved (partially filled InNi₂ type) as they are neighbours in the phase diagram. Therefore, structural similarities are to be expected. Indeed, relations were found between the orthorhombic a and b cell parameters of Ni_5-δSn₄Zn (δ ~0.25) and the hexagonal a parameter: a_o ~ a_h in direction [110]_h; b_o ~ sqrt(((a_h)*sqrt3)^2+(2c_h)^2) in direction [221] _h.

The lattice parameters are a_h = 4.14, c_h = 5.29 and a_o = 4.152, b_o = 12.603, c_o = 11.657 Å, respectively. Thus (100)_o can be related to the (1120)_h plane and (001)_o to (1102)_h.

However, along the c_o dircetion no straightforward relation to the hexagonal parental cell was found. This situation is shown in Fig. 2 [slice cut out of the Ni_5-δSn₄Zn (δ ~0.25) structure, i.e. the (11.0)_h plane, representing one atomic layer as mentioned above], where the Ni—Zn chains, the orthorhombic unit cell and triplets ABC made from the projected outline of the hexagonal cell are represented. This not only shows the relation of the lattice parameters, but also further structural relations as discussed below.

(i) The Ni—Zn chains of the title compound correspond to the Ni1** (the double asterisk ** denotes atom sites in Ni₃Sn₂) chains in Ni₃Sn₂ HT running along the hexagonal c direction. These Ni1** chains are continuous, whereas the Ni—Zn chains are interrupted after three `hexagonal' cells corresponding with the ABC cell triplets. One Ni1** atom is therefore replaced by the Zn atom, and in Ni_5-δSn₄Zn (δ ~0.25) the atoms are slightly displaced as compared to the hexagonal analogue.

(ii) Regular Sn₆ octahedra centred by Ni1** form a building block in the InNi₂-type structure of Ni₃Sn₂ HT, similar to the Sn₆ octahedra found in Ni_5-δSn₄Zn (δ ~0.25). As the Ni1** chains are continuous in Ni₃Sn₂ HT, the octahedra stacking is continuous there, too, but is discontinuous in Ni_5-δSn₄Zn (δ ~0.25), because of the discontinuity in the Ni—Zn chains (i.e. the central atoms of the ocathedra).

(iii) In agreement with the structural features just mentioned above, in similarity to the Ni—Zn chains the ABC cell triplets do not form continuous chains, either, as shown in Fig. 2. These triplets in fact form zigzag chains with gaps in between reflecting the offset in the Ni—Zn chains. Furthermore, the atom arrangement in cell A corresponds to the arrangement in Ni₃Sn₂ HT, which is not the case in cells B and C. This is consistent with the variously shaped Sn₆ octahedra in Ni_5-δSn₄Zn (δ ~0.25) and the fivefold coordination of Ni2 by Sn atoms (Fig. 3).

These structural features cause the lack of an easily visible relation of the orthorhombic c parameter to the hexagonal cell parameters. It can therefore be summarized that structural building blocks from Ni₃Sn₂ HT can be found in the Ni_5-δSn₄Zn (δ ~0.25) structure, but the structure cannot be constructed from these building blocks alone (the stacking sequence is interrupted) which leads to the lowering in symmetry. The structure of Ni_5-δSn₄Zn (δ ~0.25) is therefore no superstructure of Ni₃Sn₂ HT (InNi₂).

Similar to neighbouring Ni₃Sn₂ HT, Ni_5-δSn₄Zn (δ ~0.25) is not a purely stoichiometric phase, but has a considerable homogeneity range of Ni_44–49Sn_37–44Zn_9–14 at 973 K (Schmetterer et al., 2012). Liang et al. (2011) also mention the existence of a ternary phase with similar composition at 773 K. According to their interpretation this is a stabilization of an incommensurate Ni₃Sn₂ low-temperature phase to higher temperatures. In the light of the present results, however, it is likely to be Ni_5-δSn₄Zn (δ ~0.25) just as at 973 K. Yuan et al. (2011) also report the existence of a ternary phase with similar composition at 873 K. The stability range of the Ni_5-δSn₄Zn (δ ~0.25) compound is therefore the subject of ongoing investigations (Rajamohan et al., 2012). In both structures the Ni sublattice is not fully occupied, since in Ni_5-δSn₄Zn (δ ~0.25) the Ni2 position has an occupancy significantly below 1. This corresponds to the Ni2** position in Ni₃Sn₂ HT, which is also only partially filled (partially filled InNi₂ type).

Further details of the crystal structure investigation are available from the Fachinformationszentrum Karlsruhe, D-76344 Eggenstein-Leopoldshafen (Germany; fax: [phone]; e-mail: [e-mail]), on quoting the depository number CSD-421611, the name of the author(s), and citation of the paper.

Related literature

For related literature, see: Bhargava & Schubert (1974); Liang et al. (2011); Panday & Schubert (1969); Rajamohan et al. (2012); Schmetterer et al. (2012); Yuan et al. (2011).

S2. Experimental

Samples were prepared from the pure metals Ni (99.98%, Advent Research Materials Ltd, Eynsham, Oxfordshire, England), Sn (99.999%, Ventron Alfa Products, Beverly, MA, USA) and Zn (Alfa Aesar, Zn shots, 99.999%). Proper amounts were weighed out and placed in alumina crucibles. They were then sealed in evacuated quartz glass tubes that were flushed with argon before sealing. The use of alumina crucibles was necessary because otherwise frequent breaking of the quartz tubes on quenching after alloying was observed. Alloying was carried out by heating the mixtures to 1453 K. Owing to the use of closed capsules the loss of Zn by evaporation was negligible. Care had to be taken during cooling of the samples so that material would not be splashed out of the crucible. After alloying the samples were cut or smashed into several pieces which were again sealed in quartz capsules for equilibrium annealing.

Single crystals were isolated from samples, where the presence of the title compound had been confirmed by powder X-ray diffraction (Bruker D8 powder, Bragg–Brentano geometry, Cu Kα radiation).

The single-crystal X-ray diffraction measurements were performed at room temperature on a Nonius KappaCCD diffractometer equipped with a monocapillary optics collimator (graphite-monochromated Mo Kα radiation). The measured intensities were corrected for Lorentz, background and polarization effects as well as for absorption by evaluation of multi-scans. The (002) reflection was omitted because of partial overlap with the beam stop.

The crystal structure itself was solved using SHELXS97 software, and refined by full-matrix least-squares techniques on F² using SHELXL97. Of course, the distribution of the Ni and Zn atoms is rather impossible using conventional X-ray sources because of the similar scattering power of the two elements, but the final arrangement gave reasonable results and corresponds to the experimentally found composition range determined by scanning electron microscope analysis.

Computing details

Data collection: COLLECT (Nonius, 2003); cell refinement: COLLECT (Nonius, 2003); data reduction: COLLECT (Nonius, 2003); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ATOMS (Dowty, 2006); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).

Figures

	Fig. 1. An overall view of the orthorhombic Ni5-δSn4Zn (δ ~0.25) structure based on the coordination of Zn by Sn. Sn atoms are white and Ni atoms black. Zn atoms are in the centres of the polyhedra shown.
	Fig. 2. The atomic arrangement in a slice parallel to the bc plane of the Ni5-δSn4Zn (δ ~0.25) structure (the orientation is the same as chosen by Bhargava and Schubert); the orthorhombic unit cell is shown (dashed) as well as the triplets formed by the outline of the hexagonal Ni3Sn2 HT cell. It is evident that the orthorhombic structure cannot be created only from hexagonal cells. The Ni—Zn chain is indicated by the dotted box and the atom labels.
	Fig. 3. The coordination of Zn, Ni1 and Ni3 in Ni5-δSn4Zn (δ ~0.25) compared to the coordination of Ni1** in Ni3Sn2 HT; for the Zn atom the quite similar environment can be seen.

pentanickel tetratin zinc

Crystal data

Ni3.17Sn2.67Zn0.67	Dx = 8.918 Mg m^−3
Mr = 546.00	Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, Cmcm	Cell parameters from 4711 reflections
a = 4.1520 (8) Å	θ = 3.2–35°
b = 12.603 (3) Å	µ = 34.10 mm^−1
c = 11.657 (2) Å	T = 298 K
V = 610.0 (2) Å^3	Irregular crystal chip, black
Z = 6	0.02 × 0.01 × 0.01 mm
F(000) = 1452

Data collection

Nonius KappaCCD diffractometer	779 independent reflections
Radiation source: fine-focus sealed tube	693 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.041
ϕ scan at 10 ω angles	θmax = 35.0°, θmin = 3.2°
Absorption correction: multi-scan 120 sec., Δ=2, 626 scans, dx=30	h = −6→6
Tmin = 0.6, Tmax = 0.71	k = −20→20
4711 measured reflections	l = −18→18

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.026	w = 1/[σ^2(Fo^2) + (0.036P)^2 + 3.870P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.071	(Δ/σ)max = 0.001
S = 1.14	Δρmax = 1.96 e Å^−3
779 reflections	Δρmin = −2.14 e Å^−3
37 parameters	Extinction correction: SHELXL97 (Sheldrick, 2008), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
0 restraints	Extinction coefficient: 0.00075 (11)

Special details

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.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Sn1	0.0000	0.02856 (4)	0.2500	0.01287 (12)
Sn2	0.0000	0.28917 (3)	0.2500	0.01126 (12)
Sn3	0.0000	0.33899 (3)	0.52587 (3)	0.01450 (12)
Zn1	0.0000	0.0000	0.0000	0.01478 (18)
Ni1	0.0000	0.15847 (4)	0.62809 (6)	0.01168 (15)
Ni2	0.0000	0.47745 (5)	0.13111 (6)	0.0118 (2)	0.870 (3)
Ni3	0.0000	0.65903 (6)	0.2500	0.01137 (19)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Sn1	0.0142 (2)	0.0120 (2)	0.0124 (2)	0.000	0.000	0.000
Sn2	0.0101 (2)	0.01179 (19)	0.0119 (2)	0.000	0.000	0.000
Sn3	0.01687 (19)	0.01299 (17)	0.01364 (18)	0.000	0.000	0.00062 (10)
Zn1	0.0134 (4)	0.0168 (4)	0.0142 (4)	0.000	0.000	0.0055 (3)
Ni1	0.0120 (3)	0.0106 (3)	0.0124 (3)	0.000	0.000	−0.00086 (19)
Ni2	0.0117 (4)	0.0110 (3)	0.0128 (4)	0.000	0.000	−0.0013 (2)
Ni3	0.0133 (4)	0.0099 (4)	0.0109 (4)	0.000	0.000	0.000

Geometric parameters (Å, º)

Sn1—Ni2^i	2.5779 (6)	Zn1—Sn3^x	2.9186 (5)
Sn1—Ni2^ii	2.5779 (6)	Zn1—Sn3^ix	2.9186 (5)
Sn1—Ni2^iii	2.5779 (6)	Zn1—Sn3^ii	2.9186 (5)
Sn1—Ni2^iv	2.5779 (6)	Zn1—Sn1^xxi	2.9364 (6)
Sn1—Ni3^iv	2.6483 (7)	Zn1—Ni3^xix	4.1012 (6)
Sn1—Ni3^i	2.6483 (7)	Zn1—Ni3^iv	4.1012 (6)
Sn1—Ni1^v	2.7525 (8)	Zn1—Ni3^xx	4.1012 (6)
Sn1—Ni1^vi	2.7525 (8)	Ni1—Zn1^vii	2.4937 (7)
Sn1—Zn1	2.9364 (6)	Ni1—Sn2^viii	2.6009 (5)
Sn1—Zn1^vii	2.9364 (6)	Ni1—Sn2^xi	2.6009 (5)
Sn1—Sn2	3.2845 (9)	Ni1—Ni2^xviii	2.6918 (7)
Sn1—Sn2^i	3.6623 (8)	Ni1—Ni2^xvii	2.6918 (7)
Sn1—Sn2^iv	3.6623 (8)	Ni1—Ni3^xv	2.7037 (10)
Sn1—Sn3^viii	3.7312 (6)	Ni1—Sn3^xi	2.7444 (6)
Sn1—Sn3^ix	3.7312 (6)	Ni1—Sn3^viii	2.7444 (6)
Sn2—Ni1^viii	2.6009 (5)	Ni1—Sn1^vi	2.7525 (8)
Sn2—Ni1^ix	2.6009 (5)	Ni1—Ni1^xxii	2.8423 (15)
Sn2—Ni1^x	2.6009 (5)	Ni1—Ni2^viii	3.8889 (10)
Sn2—Ni1^xi	2.6009 (5)	Ni1—Ni2^xi	3.8889 (10)
Sn2—Ni3^i	2.6458 (7)	Ni1—Ni1^xxiii	4.1520 (8)
Sn2—Ni3^iv	2.6458 (7)	Ni1—Ni1^xxiv	4.1520 (8)
Sn2—Ni2^xii	2.7480 (9)	Ni2—Sn3^xii	2.5286 (9)
Sn2—Ni2	2.7480 (9)	Ni2—Sn1^xiii	2.5779 (6)
Sn2—Sn3	3.2766 (7)	Ni2—Sn1^xiv	2.5779 (6)
Sn2—Sn3^xii	3.2766 (7)	Ni2—Zn1^xiv	2.5935 (6)
Sn2—Sn1^xiii	3.6623 (8)	Ni2—Zn1^xiii	2.5935 (6)
Sn2—Sn1^xiv	3.6623 (8)	Ni2—Sn3^xxv	2.6185 (9)
Sn2—Sn3^ix	3.7074 (6)	Ni2—Ni3	2.6754 (10)
Sn2—Sn3^viii	3.7074 (6)	Ni2—Ni1^ix	2.6918 (7)
Sn3—Ni2^xii	2.5286 (9)	Ni2—Ni1^x	2.6918 (7)
Sn3—Ni1	2.5682 (8)	Ni2—Ni2^xii	2.7718 (15)
Sn3—Ni3^xv	2.6127 (6)	Ni2—Ni2^xxvi	3.1091 (15)
Sn3—Ni2^xvi	2.6185 (9)	Ni2—Ni1^viii	3.8889 (10)
Sn3—Ni1^xi	2.7444 (6)	Ni2—Ni1^xi	3.8889 (10)
Sn3—Ni1^viii	2.7444 (6)	Ni2—Ni2^xxiii	4.1520 (8)
Sn3—Zn1^xvii	2.9186 (5)	Ni3—Sn3^xxv	2.6127 (6)
Sn3—Zn1^xviii	2.9186 (5)	Ni3—Sn3^xv	2.6127 (6)
Sn3—Sn3^xi	3.1154 (6)	Ni3—Sn2^xiii	2.6458 (7)
Sn3—Sn3^viii	3.1154 (6)	Ni3—Sn2^xiv	2.6458 (7)
Sn3—Sn2^viii	3.7074 (6)	Ni3—Sn1^xiv	2.6483 (7)
Sn3—Sn2^xi	3.7074 (6)	Ni3—Sn1^xiii	2.6483 (7)
Sn3—Sn1^viii	3.7312 (6)	Ni3—Ni2^xii	2.6754 (10)
Sn3—Sn1^xi	3.7312 (6)	Ni3—Ni1^xv	2.7036 (10)
Zn1—Ni1^xii	2.4937 (7)	Ni3—Ni1^xxv	2.7036 (10)
Zn1—Ni1^v	2.4937 (7)	Ni3—Zn1^xiv	4.1012 (6)
Zn1—Ni2^xix	2.5935 (6)	Ni3—Zn1^xvii	4.1012 (6)
Zn1—Ni2^iv	2.5935 (6)	Ni3—Zn1^xiii	4.1012 (6)
Zn1—Ni2^xx	2.5935 (6)	Ni3—Zn1^xviii	4.1012 (6)
Zn1—Ni2^i	2.5935 (6)	Ni3—Ni3^xxiii	4.1520 (8)
Zn1—Sn3^iii	2.9186 (5)
Ni2^i—Sn1—Ni2^ii	151.06 (4)	Sn3^ix—Zn1—Sn1	79.176 (9)
Ni2^i—Sn1—Ni2^iii	65.04 (3)	Sn3^ii—Zn1—Sn1	100.824 (9)
Ni2^ii—Sn1—Ni2^iii	107.28 (3)	Ni1^xii—Zn1—Sn1^xxi	60.26 (2)
Ni2^i—Sn1—Ni2^iv	107.28 (3)	Ni1^v—Zn1—Sn1^xxi	119.74 (2)
Ni2^ii—Sn1—Ni2^iv	65.04 (3)	Ni2^xix—Zn1—Sn1^xxi	55.151 (15)
Ni2^iii—Sn1—Ni2^iv	151.06 (4)	Ni2^iv—Zn1—Sn1^xxi	124.849 (15)
Ni2^i—Sn1—Ni3^iv	141.85 (2)	Ni2^xx—Zn1—Sn1^xxi	55.151 (15)
Ni2^ii—Sn1—Ni3^iv	61.57 (2)	Ni2^i—Zn1—Sn1^xxi	124.849 (15)
Ni2^iii—Sn1—Ni3^iv	141.85 (2)	Sn3^iii—Zn1—Sn1^xxi	79.176 (9)
Ni2^iv—Sn1—Ni3^iv	61.57 (2)	Sn3^x—Zn1—Sn1^xxi	100.824 (9)
Ni2^i—Sn1—Ni3^i	61.57 (2)	Sn3^ix—Zn1—Sn1^xxi	100.824 (9)
Ni2^ii—Sn1—Ni3^i	141.85 (2)	Sn3^ii—Zn1—Sn1^xxi	79.176 (9)
Ni2^iii—Sn1—Ni3^i	61.57 (2)	Sn1—Zn1—Sn1^xxi	180.0
Ni2^iv—Sn1—Ni3^i	141.85 (2)	Ni1^xii—Zn1—Ni3^xix	88.05 (2)
Ni3^iv—Sn1—Ni3^i	103.24 (4)	Ni1^v—Zn1—Ni3^xix	91.95 (2)
Ni2^i—Sn1—Ni1^v	60.556 (17)	Ni2^xix—Zn1—Ni3^xix	39.611 (18)
Ni2^ii—Sn1—Ni1^v	93.65 (2)	Ni2^iv—Zn1—Ni3^xix	140.389 (18)
Ni2^iii—Sn1—Ni1^v	93.65 (2)	Ni2^xx—Zn1—Ni3^xix	92.292 (19)
Ni2^iv—Sn1—Ni1^v	60.556 (17)	Ni2^i—Zn1—Ni3^xix	87.708 (19)
Ni3^iv—Sn1—Ni1^v	122.122 (15)	Sn3^iii—Zn1—Ni3^xix	39.352 (11)
Ni3^i—Sn1—Ni1^v	122.122 (15)	Sn3^x—Zn1—Ni3^xix	140.648 (11)
Ni2^i—Sn1—Ni1^vi	93.65 (2)	Sn3^ix—Zn1—Ni3^xix	93.047 (14)
Ni2^ii—Sn1—Ni1^vi	60.556 (17)	Sn3^ii—Zn1—Ni3^xix	86.953 (14)
Ni2^iii—Sn1—Ni1^vi	60.556 (17)	Sn1—Zn1—Ni3^xix	139.919 (10)
Ni2^iv—Sn1—Ni1^vi	93.65 (2)	Sn1^xxi—Zn1—Ni3^xix	40.080 (10)
Ni3^iv—Sn1—Ni1^vi	122.122 (15)	Ni1^xii—Zn1—Ni3^iv	91.95 (2)
Ni3^i—Sn1—Ni1^vi	122.122 (15)	Ni1^v—Zn1—Ni3^iv	88.05 (2)
Ni1^v—Sn1—Ni1^vi	62.17 (3)	Ni2^xix—Zn1—Ni3^iv	140.389 (18)
Ni2^i—Sn1—Zn1	55.654 (15)	Ni2^iv—Zn1—Ni3^iv	39.611 (18)
Ni2^ii—Sn1—Zn1	120.194 (17)	Ni2^xx—Zn1—Ni3^iv	87.708 (19)
Ni2^iii—Sn1—Zn1	120.194 (17)	Ni2^i—Zn1—Ni3^iv	92.292 (19)
Ni2^iv—Sn1—Zn1	55.654 (15)	Sn3^iii—Zn1—Ni3^iv	140.648 (11)
Ni3^iv—Sn1—Zn1	94.365 (5)	Sn3^x—Zn1—Ni3^iv	39.352 (11)
Ni3^i—Sn1—Zn1	94.365 (5)	Sn3^ix—Zn1—Ni3^iv	86.953 (14)
Ni1^v—Sn1—Zn1	51.873 (14)	Sn3^ii—Zn1—Ni3^iv	93.047 (14)
Ni1^vi—Sn1—Zn1	114.04 (2)	Sn1—Zn1—Ni3^iv	40.081 (10)
Ni2^i—Sn1—Zn1^vii	120.194 (17)	Sn1^xxi—Zn1—Ni3^iv	139.920 (10)
Ni2^ii—Sn1—Zn1^vii	55.654 (15)	Ni3^xix—Zn1—Ni3^iv	180.000 (19)
Ni2^iii—Sn1—Zn1^vii	55.654 (15)	Ni1^xii—Zn1—Ni3^xx	88.05 (2)
Ni2^iv—Sn1—Zn1^vii	120.194 (17)	Ni1^v—Zn1—Ni3^xx	91.95 (2)
Ni3^iv—Sn1—Zn1^vii	94.365 (5)	Ni2^xix—Zn1—Ni3^xx	92.292 (19)
Ni3^i—Sn1—Zn1^vii	94.365 (5)	Ni2^iv—Zn1—Ni3^xx	87.708 (19)
Ni1^v—Sn1—Zn1^vii	114.04 (2)	Ni2^xx—Zn1—Ni3^xx	39.611 (18)
Ni1^vi—Sn1—Zn1^vii	51.873 (15)	Ni2^i—Zn1—Ni3^xx	140.389 (18)
Zn1—Sn1—Zn1^vii	165.917 (18)	Sn3^iii—Zn1—Ni3^xx	86.953 (14)
Ni2^i—Sn1—Sn2	104.470 (19)	Sn3^x—Zn1—Ni3^xx	93.047 (14)
Ni2^ii—Sn1—Sn2	104.470 (19)	Sn3^ix—Zn1—Ni3^xx	140.648 (11)
Ni2^iii—Sn1—Sn2	104.470 (19)	Sn3^ii—Zn1—Ni3^xx	39.352 (11)
Ni2^iv—Sn1—Sn2	104.470 (19)	Sn1—Zn1—Ni3^xx	139.919 (10)
Ni3^iv—Sn1—Sn2	51.620 (18)	Sn1^xxi—Zn1—Ni3^xx	40.081 (10)
Ni3^i—Sn1—Sn2	51.620 (18)	Ni3^xix—Zn1—Ni3^xx	60.822 (14)
Ni1^v—Sn1—Sn2	148.915 (16)	Ni3^iv—Zn1—Ni3^xx	119.178 (14)
Ni1^vi—Sn1—Sn2	148.915 (16)	Zn1^vii—Ni1—Sn3	115.58 (3)
Zn1—Sn1—Sn2	97.042 (9)	Zn1^vii—Ni1—Sn2^viii	122.029 (16)
Zn1^vii—Sn1—Sn2	97.042 (9)	Sn3—Ni1—Sn2^viii	91.648 (19)
Ni2^i—Sn1—Sn2^i	48.521 (18)	Zn1^vii—Ni1—Sn2^xi	122.029 (16)
Ni2^ii—Sn1—Sn2^i	104.52 (2)	Sn3—Ni1—Sn2^xi	91.648 (19)
Ni2^iii—Sn1—Sn2^i	48.521 (18)	Sn2^viii—Ni1—Sn2^xi	105.91 (3)
Ni2^iv—Sn1—Sn2^i	104.52 (2)	Zn1^vii—Ni1—Ni2^xviii	59.876 (19)
Ni3^iv—Sn1—Sn2^i	162.91 (2)	Sn3—Ni1—Ni2^xviii	124.74 (2)
Ni3^i—Sn1—Sn2^i	93.85 (2)	Sn2^viii—Ni1—Ni2^xviii	140.34 (3)
Ni1^v—Sn1—Sn2^i	45.129 (13)	Sn2^xi—Ni1—Ni2^xviii	62.530 (19)
Ni1^vi—Sn1—Sn2^i	45.129 (13)	Zn1^vii—Ni1—Ni2^xvii	59.876 (19)
Zn1—Sn1—Sn2^i	84.204 (8)	Sn3—Ni1—Ni2^xvii	124.74 (2)
Zn1^vii—Sn1—Sn2^i	84.204 (8)	Sn2^viii—Ni1—Ni2^xvii	62.530 (19)
Sn2—Sn1—Sn2^i	145.468 (10)	Sn2^xi—Ni1—Ni2^xvii	140.34 (3)
Ni2^i—Sn1—Sn2^iv	104.52 (2)	Ni2^xviii—Ni1—Ni2^xvii	100.93 (3)
Ni2^ii—Sn1—Sn2^iv	48.521 (18)	Zn1^vii—Ni1—Ni3^xv	174.93 (3)
Ni2^iii—Sn1—Sn2^iv	104.52 (2)	Sn3—Ni1—Ni3^xv	59.35 (2)
Ni2^iv—Sn1—Sn2^iv	48.521 (18)	Sn2^viii—Ni1—Ni3^xv	59.800 (16)
Ni3^iv—Sn1—Sn2^iv	93.85 (2)	Sn2^xi—Ni1—Ni3^xv	59.800 (16)
Ni3^i—Sn1—Sn2^iv	162.91 (2)	Ni2^xviii—Ni1—Ni3^xv	122.31 (2)
Ni1^v—Sn1—Sn2^iv	45.129 (13)	Ni2^xvii—Ni1—Ni3^xv	122.31 (2)
Ni1^vi—Sn1—Sn2^iv	45.129 (13)	Zn1^vii—Ni1—Sn3^xi	67.527 (17)
Zn1—Sn1—Sn2^iv	84.204 (8)	Sn3—Ni1—Sn3^xi	71.718 (17)
Zn1^vii—Sn1—Sn2^iv	84.204 (8)	Sn2^viii—Ni1—Sn3^xi	163.37 (3)
Sn2—Sn1—Sn2^iv	145.468 (10)	Sn2^xi—Ni1—Sn3^xi	75.558 (16)
Sn2^i—Sn1—Sn2^iv	69.063 (19)	Ni2^xviii—Ni1—Sn3^xi	55.428 (18)
Ni2^i—Sn1—Sn3^viii	159.439 (17)	Ni2^xvii—Ni1—Sn3^xi	126.82 (3)
Ni2^ii—Sn1—Sn3^viii	44.542 (18)	Ni3^xv—Ni1—Sn3^xi	109.503 (18)
Ni2^iii—Sn1—Sn3^viii	100.57 (2)	Zn1^vii—Ni1—Sn3^viii	67.527 (17)
Ni2^iv—Sn1—Sn3^viii	92.302 (19)	Sn3—Ni1—Sn3^viii	71.718 (17)
Ni3^iv—Sn1—Sn3^viii	44.446 (9)	Sn2^viii—Ni1—Sn3^viii	75.558 (16)
Ni3^i—Sn1—Sn3^viii	99.114 (19)	Sn2^xi—Ni1—Sn3^viii	163.37 (3)
Ni1^v—Sn1—Sn3^viii	138.129 (13)	Ni2^xviii—Ni1—Sn3^viii	126.82 (3)
Ni1^vi—Sn1—Sn3^viii	91.237 (17)	Ni2^xvii—Ni1—Sn3^viii	55.428 (18)
Zn1—Sn1—Sn3^viii	138.571 (10)	Ni3^xv—Ni1—Sn3^viii	109.503 (18)
Zn1^vii—Sn1—Sn3^viii	50.202 (10)	Sn3^xi—Ni1—Sn3^viii	98.30 (3)
Sn2—Sn1—Sn3^viii	63.426 (10)	Zn1^vii—Ni1—Sn1^vi	67.87 (2)
Sn2^i—Sn1—Sn3^viii	133.152 (10)	Sn3—Ni1—Sn1^vi	176.56 (3)
Sn2^iv—Sn1—Sn3^viii	93.046 (12)	Sn2^viii—Ni1—Sn1^vi	86.28 (2)
Ni2^i—Sn1—Sn3^ix	44.542 (18)	Sn2^xi—Ni1—Sn1^vi	86.28 (2)
Ni2^ii—Sn1—Sn3^ix	159.439 (17)	Ni2^xviii—Ni1—Sn1^vi	56.511 (19)
Ni2^iii—Sn1—Sn3^ix	92.302 (19)	Ni2^xvii—Ni1—Sn1^vi	56.511 (19)
Ni2^iv—Sn1—Sn3^ix	100.57 (2)	Ni3^xv—Ni1—Sn1^vi	117.20 (3)
Ni3^iv—Sn1—Sn3^ix	99.114 (19)	Sn3^xi—Ni1—Sn1^vi	110.341 (17)
Ni3^i—Sn1—Sn3^ix	44.446 (9)	Sn3^viii—Ni1—Sn1^vi	110.341 (17)
Ni1^v—Sn1—Sn3^ix	91.237 (17)	Zn1^vii—Ni1—Ni1^xxii	126.781 (17)
Ni1^vi—Sn1—Sn3^ix	138.129 (13)	Sn3—Ni1—Ni1^xxii	117.641 (17)
Zn1—Sn1—Sn3^ix	50.202 (10)	Sn2^viii—Ni1—Ni1^xxii	56.880 (15)
Zn1^vii—Sn1—Sn3^ix	138.571 (10)	Sn2^xi—Ni1—Ni1^xxii	56.880 (15)
Sn2—Sn1—Sn3^ix	63.426 (10)	Ni2^xviii—Ni1—Ni1^xxii	89.25 (2)
Sn2^i—Sn1—Sn3^ix	93.046 (12)	Ni2^xvii—Ni1—Ni1^xxii	89.25 (2)
Sn2^iv—Sn1—Sn3^ix	133.152 (10)	Ni3^xv—Ni1—Ni1^xxii	58.289 (18)
Sn3^viii—Sn1—Sn3^ix	126.851 (19)	Sn3^xi—Ni1—Ni1^xxii	130.841 (15)
Ni1^viii—Sn2—Ni1^ix	150.61 (3)	Sn3^viii—Ni1—Ni1^xxii	130.841 (15)
Ni1^viii—Sn2—Ni1^x	66.24 (3)	Sn1^vi—Ni1—Ni1^xxii	58.915 (16)
Ni1^ix—Sn2—Ni1^x	105.91 (3)	Zn1^vii—Ni1—Ni2^viii	94.55 (2)
Ni1^viii—Sn2—Ni1^xi	105.91 (3)	Sn3—Ni1—Ni2^viii	136.477 (17)
Ni1^ix—Sn2—Ni1^xi	66.24 (3)	Sn2^viii—Ni1—Ni2^viii	44.869 (16)
Ni1^x—Sn2—Ni1^xi	150.61 (3)	Sn2^xi—Ni1—Ni2^viii	98.25 (2)
Ni1^viii—Sn2—Ni3^i	141.588 (19)	Ni2^xviii—Ni1—Ni2^viii	97.00 (3)
Ni1^ix—Sn2—Ni3^i	62.029 (19)	Ni2^xvii—Ni1—Ni2^viii	45.45 (2)
Ni1^x—Sn2—Ni3^i	141.588 (19)	Ni3^xv—Ni1—Ni2^viii	89.73 (2)
Ni1^xi—Sn2—Ni3^i	62.029 (19)	Sn3^xi—Ni1—Ni2^viii	151.76 (2)
Ni1^viii—Sn2—Ni3^iv	62.029 (19)	Sn3^viii—Ni1—Ni2^viii	94.206 (17)
Ni1^ix—Sn2—Ni3^iv	141.588 (19)	Sn1^vi—Ni1—Ni2^viii	41.417 (13)
Ni1^x—Sn2—Ni3^iv	62.029 (19)	Ni1^xxii—Ni1—Ni2^viii	43.797 (14)
Ni1^xi—Sn2—Ni3^iv	141.588 (19)	Zn1^vii—Ni1—Ni2^xi	94.55 (2)
Ni3^i—Sn2—Ni3^iv	103.38 (3)	Sn3—Ni1—Ni2^xi	136.477 (17)
Ni1^viii—Sn2—Ni2^xii	60.355 (15)	Sn2^viii—Ni1—Ni2^xi	98.25 (2)
Ni1^ix—Sn2—Ni2^xii	93.24 (2)	Sn2^xi—Ni1—Ni2^xi	44.869 (16)
Ni1^x—Sn2—Ni2^xii	93.24 (2)	Ni2^xviii—Ni1—Ni2^xi	45.45 (2)
Ni1^xi—Sn2—Ni2^xii	60.355 (15)	Ni2^xvii—Ni1—Ni2^xi	97.00 (3)
Ni3^i—Sn2—Ni2^xii	122.366 (15)	Ni3^xv—Ni1—Ni2^xi	89.73 (2)
Ni3^iv—Sn2—Ni2^xii	122.366 (15)	Sn3^xi—Ni1—Ni2^xi	94.206 (17)
Ni1^viii—Sn2—Ni2	93.24 (2)	Sn3^viii—Ni1—Ni2^xi	151.76 (2)
Ni1^ix—Sn2—Ni2	60.355 (15)	Sn1^vi—Ni1—Ni2^xi	41.417 (13)
Ni1^x—Sn2—Ni2	60.355 (15)	Ni1^xxii—Ni1—Ni2^xi	43.797 (14)
Ni1^xi—Sn2—Ni2	93.24 (2)	Ni2^viii—Ni1—Ni2^xi	64.53 (2)
Ni3^i—Sn2—Ni2	122.366 (15)	Zn1^vii—Ni1—Ni1^xxiii	90.0
Ni3^iv—Sn2—Ni2	122.366 (15)	Sn3—Ni1—Ni1^xxiii	90.0
Ni2^xii—Sn2—Ni2	60.57 (3)	Sn2^viii—Ni1—Ni1^xxiii	37.043 (14)
Ni1^viii—Sn2—Sn3	54.205 (14)	Sn2^xi—Ni1—Ni1^xxiii	142.957 (14)
Ni1^ix—Sn2—Sn3	119.187 (17)	Ni2^xviii—Ni1—Ni1^xxiii	140.465 (17)
Ni1^x—Sn2—Sn3	119.187 (17)	Ni2^xvii—Ni1—Ni1^xxiii	39.535 (17)
Ni1^xi—Sn2—Sn3	54.205 (14)	Ni3^xv—Ni1—Ni1^xxiii	90.0
Ni3^i—Sn2—Sn3	96.823 (6)	Sn3^xi—Ni1—Ni1^xxiii	139.152 (15)
Ni3^iv—Sn2—Sn3	96.823 (6)	Sn3^viii—Ni1—Ni1^xxiii	40.848 (15)
Ni2^xii—Sn2—Sn3	48.665 (17)	Sn1^vi—Ni1—Ni1^xxiii	90.0
Ni2—Sn2—Sn3	109.24 (2)	Ni1^xxii—Ni1—Ni1^xxiii	90.0
Ni1^viii—Sn2—Sn3^xii	119.187 (17)	Ni2^viii—Ni1—Ni1^xxiii	57.736 (10)
Ni1^ix—Sn2—Sn3^xii	54.205 (14)	Ni2^xi—Ni1—Ni1^xxiii	122.264 (10)
Ni1^x—Sn2—Sn3^xii	54.205 (14)	Zn1^vii—Ni1—Ni1^xxiv	90.0
Ni1^xi—Sn2—Sn3^xii	119.187 (17)	Sn3—Ni1—Ni1^xxiv	90.0
Ni3^i—Sn2—Sn3^xii	96.823 (6)	Sn2^viii—Ni1—Ni1^xxiv	142.957 (14)
Ni3^iv—Sn2—Sn3^xii	96.823 (6)	Sn2^xi—Ni1—Ni1^xxiv	37.043 (14)
Ni2^xii—Sn2—Sn3^xii	109.24 (2)	Ni2^xviii—Ni1—Ni1^xxiv	39.535 (17)
Ni2—Sn2—Sn3^xii	48.665 (17)	Ni2^xvii—Ni1—Ni1^xxiv	140.465 (17)
Sn3—Sn2—Sn3^xii	157.90 (2)	Ni3^xv—Ni1—Ni1^xxiv	90.0
Ni1^viii—Sn2—Sn1	104.696 (16)	Sn3^xi—Ni1—Ni1^xxiv	40.848 (15)
Ni1^ix—Sn2—Sn1	104.696 (16)	Sn3^viii—Ni1—Ni1^xxiv	139.152 (15)
Ni1^x—Sn2—Sn1	104.696 (16)	Sn1^vi—Ni1—Ni1^xxiv	90.0
Ni1^xi—Sn2—Sn1	104.696 (16)	Ni1^xxii—Ni1—Ni1^xxiv	90.0
Ni3^i—Sn2—Sn1	51.689 (17)	Ni2^viii—Ni1—Ni1^xxiv	122.264 (10)
Ni3^iv—Sn2—Sn1	51.689 (17)	Ni2^xi—Ni1—Ni1^xxiv	57.736 (10)
Ni2^xii—Sn2—Sn1	149.713 (16)	Ni1^xxiii—Ni1—Ni1^xxiv	180.00 (3)
Ni2—Sn2—Sn1	149.713 (17)	Sn3^xii—Ni2—Sn1^xiii	124.161 (17)
Sn3—Sn2—Sn1	101.048 (10)	Sn3^xii—Ni2—Sn1^xiv	124.161 (17)
Sn3^xii—Sn2—Sn1	101.048 (10)	Sn1^xiii—Ni2—Sn1^xiv	107.28 (3)
Ni1^viii—Sn2—Sn1^xiii	48.590 (16)	Sn3^xii—Ni2—Zn1^xiv	69.460 (18)
Ni1^ix—Sn2—Sn1^xiii	104.09 (2)	Sn1^xiii—Ni2—Zn1^xiv	159.08 (3)
Ni1^x—Sn2—Sn1^xiii	48.590 (16)	Sn1^xiv—Ni2—Zn1^xiv	69.195 (15)
Ni1^xi—Sn2—Sn1^xiii	104.09 (2)	Sn3^xii—Ni2—Zn1^xiii	69.460 (18)
Ni3^i—Sn2—Sn1^xiii	162.843 (18)	Sn1^xiii—Ni2—Zn1^xiii	69.195 (15)
Ni3^iv—Sn2—Sn1^xiii	93.78 (2)	Sn1^xiv—Ni2—Zn1^xiii	159.08 (3)
Ni2^xii—Sn2—Sn1^xiii	44.654 (13)	Zn1^xiv—Ni2—Zn1^xiii	106.35 (3)
Ni2—Sn2—Sn1^xiii	44.654 (13)	Sn3^xii—Ni2—Sn3^xxv	105.70 (3)
Sn3—Sn2—Sn1^xiii	80.917 (9)	Sn1^xiii—Ni2—Sn3^xxv	91.78 (2)
Sn3^xii—Sn2—Sn1^xiii	80.917 (9)	Sn1^xiv—Ni2—Sn3^xxv	91.78 (2)
Sn1—Sn2—Sn1^xiii	145.468 (9)	Zn1^xiv—Ni2—Sn3^xxv	68.107 (16)
Ni1^viii—Sn2—Sn1^xiv	104.09 (2)	Zn1^xiii—Ni2—Sn3^xxv	68.107 (16)
Ni1^ix—Sn2—Sn1^xiv	48.590 (16)	Sn3^xii—Ni2—Ni3	164.84 (3)
Ni1^x—Sn2—Sn1^xiv	104.09 (2)	Sn1^xiii—Ni2—Ni3	60.513 (18)
Ni1^xi—Sn2—Sn1^xiv	48.590 (16)	Sn1^xiv—Ni2—Ni3	60.513 (18)
Ni3^i—Sn2—Sn1^xiv	93.78 (2)	Zn1^xiv—Ni2—Ni3	102.21 (2)
Ni3^iv—Sn2—Sn1^xiv	162.843 (18)	Zn1^xiii—Ni2—Ni3	102.21 (2)
Ni2^xii—Sn2—Sn1^xiv	44.654 (13)	Sn3^xxv—Ni2—Ni3	59.14 (2)
Ni2—Sn2—Sn1^xiv	44.654 (13)	Sn3^xii—Ni2—Ni1^ix	63.34 (2)
Sn3—Sn2—Sn1^xiv	80.917 (9)	Sn1^xiii—Ni2—Ni1^ix	141.92 (3)
Sn3^xii—Sn2—Sn1^xiv	80.917 (9)	Sn1^xiv—Ni2—Ni1^ix	62.933 (19)
Sn1—Sn2—Sn1^xiv	145.468 (10)	Zn1^xiv—Ni2—Ni1^ix	56.267 (16)
Sn1^xiii—Sn2—Sn1^xiv	69.063 (19)	Zn1^xiii—Ni2—Ni1^ix	132.79 (3)
Ni1^viii—Sn2—Sn3^ix	160.481 (14)	Sn3^xxv—Ni2—Ni1^ix	123.79 (2)
Ni1^ix—Sn2—Sn3^ix	43.824 (16)	Ni3—Ni2—Ni1^ix	123.45 (2)
Ni1^x—Sn2—Sn3^ix	99.93 (2)	Sn3^xii—Ni2—Ni1^x	63.34 (2)
Ni1^xi—Sn2—Sn3^ix	92.787 (18)	Sn1^xiii—Ni2—Ni1^x	62.933 (19)
Ni3^i—Sn2—Sn3^ix	44.808 (9)	Sn1^xiv—Ni2—Ni1^x	141.92 (3)
Ni3^iv—Sn2—Sn3^ix	99.746 (18)	Zn1^xiv—Ni2—Ni1^x	132.79 (3)
Ni2^xii—Sn2—Sn3^ix	137.024 (13)	Zn1^xiii—Ni2—Ni1^x	56.267 (16)
Ni2—Sn2—Sn3^ix	91.193 (18)	Sn3^xxv—Ni2—Ni1^x	123.79 (2)
Sn3—Sn2—Sn3^ix	140.818 (9)	Ni3—Ni2—Ni1^x	123.45 (2)
Sn3^xii—Sn2—Sn3^ix	52.544 (12)	Ni1^ix—Ni2—Ni1^x	100.93 (3)
Sn1—Sn2—Sn3^ix	64.171 (9)	Sn3^xii—Ni2—Sn2	76.65 (3)
Sn1^xiii—Sn2—Sn3^ix	132.559 (10)	Sn1^xiii—Ni2—Sn2	86.83 (2)
Sn1^xiv—Sn2—Sn3^ix	92.379 (12)	Sn1^xiv—Ni2—Sn2	86.83 (2)
Ni1^viii—Sn2—Sn3^viii	43.824 (16)	Zn1^xiv—Ni2—Sn2	113.067 (18)
Ni1^ix—Sn2—Sn3^viii	160.481 (14)	Zn1^xiii—Ni2—Sn2	113.067 (18)
Ni1^x—Sn2—Sn3^viii	92.787 (18)	Sn3^xxv—Ni2—Sn2	177.65 (3)
Ni1^xi—Sn2—Sn3^viii	99.93 (2)	Ni3—Ni2—Sn2	118.51 (3)
Ni3^i—Sn2—Sn3^viii	99.746 (18)	Ni1^ix—Ni2—Sn2	57.116 (19)
Ni3^iv—Sn2—Sn3^viii	44.808 (9)	Ni1^x—Ni2—Sn2	57.116 (19)
Ni2^xii—Sn2—Sn3^viii	91.193 (18)	Sn3^xii—Ni2—Ni2^xii	136.36 (2)
Ni2—Sn2—Sn3^viii	137.024 (13)	Sn1^xiii—Ni2—Ni2^xii	57.479 (15)
Sn3—Sn2—Sn3^viii	52.544 (12)	Sn1^xiv—Ni2—Ni2^xii	57.479 (15)
Sn3^xii—Sn2—Sn3^viii	140.818 (9)	Zn1^xiv—Ni2—Ni2^xii	126.107 (15)
Sn1—Sn2—Sn3^viii	64.171 (9)	Zn1^xiii—Ni2—Ni2^xii	126.107 (15)
Sn1^xiii—Sn2—Sn3^viii	92.379 (12)	Sn3^xxv—Ni2—Ni2^xii	117.936 (18)
Sn1^xiv—Sn2—Sn3^viii	132.559 (10)	Ni3—Ni2—Ni2^xii	58.800 (19)
Sn3^ix—Sn2—Sn3^viii	128.341 (19)	Ni1^ix—Ni2—Ni2^xii	90.75 (2)
Ni2^xii—Sn3—Ni1	161.28 (3)	Ni1^x—Ni2—Ni2^xii	90.75 (2)
Ni2^xii—Sn3—Ni3^xv	135.82 (3)	Sn2—Ni2—Ni2^xii	59.713 (16)
Ni1—Sn3—Ni3^xv	62.91 (2)	Sn3^xii—Ni2—Ni2^xxvi	54.17 (2)
Ni2^xii—Sn3—Ni2^xvi	74.30 (3)	Sn1^xiii—Ni2—Ni2^xxvi	118.87 (2)
Ni1—Sn3—Ni2^xvi	124.42 (3)	Sn1^xiv—Ni2—Ni2^xxvi	118.87 (2)
Ni3^xv—Sn3—Ni2^xvi	61.52 (3)	Zn1^xiv—Ni2—Ni2^xxvi	53.174 (15)
Ni2^xii—Sn3—Ni1^xi	61.230 (18)	Zn1^xiii—Ni2—Ni2^xxvi	53.174 (15)
Ni1—Sn3—Ni1^xi	108.282 (17)	Sn3^xxv—Ni2—Ni2^xxvi	51.53 (2)
Ni3^xv—Sn3—Ni1^xi	130.830 (15)	Ni3—Ni2—Ni2^xxvi	110.67 (4)
Ni2^xvi—Sn3—Ni1^xi	107.223 (18)	Ni1^ix—Ni2—Ni2^xxvi	95.94 (3)
Ni2^xii—Sn3—Ni1^viii	61.230 (18)	Ni1^x—Ni2—Ni2^xxvi	95.94 (3)
Ni1—Sn3—Ni1^viii	108.282 (17)	Sn2—Ni2—Ni2^xxvi	130.82 (4)
Ni3^xv—Sn3—Ni1^viii	130.830 (15)	Ni2^xii—Ni2—Ni2^xxvi	169.47 (3)
Ni2^xvi—Sn3—Ni1^viii	107.223 (18)	Sn3^xii—Ni2—Ni1^viii	102.61 (3)
Ni1^xi—Sn3—Ni1^viii	98.30 (3)	Sn1^xiii—Ni2—Ni1^viii	44.938 (17)
Ni2^xii—Sn3—Zn1^xvii	56.318 (12)	Sn1^xiv—Ni2—Ni1^viii	98.74 (3)
Ni1—Sn3—Zn1^xvii	131.594 (11)	Zn1^xiv—Ni2—Ni1^viii	154.28 (2)
Ni3^xv—Sn3—Zn1^xvii	95.550 (16)	Zn1^xiii—Ni2—Ni1^viii	92.655 (16)
Ni2^xvi—Sn3—Zn1^xvii	55.541 (13)	Sn3^xxv—Ni2—Ni1^viii	136.662 (19)
Ni1^xi—Sn3—Zn1^xvii	117.541 (19)	Ni3—Ni2—Ni1^viii	90.16 (2)
Ni1^viii—Sn3—Zn1^xvii	52.141 (14)	Ni1^ix—Ni2—Ni1^viii	98.10 (3)
Ni2^xii—Sn3—Zn1^xviii	56.318 (12)	Ni1^x—Ni2—Ni1^viii	46.95 (2)
Ni1—Sn3—Zn1^xviii	131.594 (11)	Sn2—Ni2—Ni1^viii	41.892 (12)
Ni3^xv—Sn3—Zn1^xviii	95.550 (16)	Ni2^xii—Ni2—Ni1^viii	43.797 (14)
Ni2^xvi—Sn3—Zn1^xviii	55.541 (13)	Ni2^xxvi—Ni2—Ni1^viii	142.20 (2)
Ni1^xi—Sn3—Zn1^xviii	52.141 (14)	Sn3^xii—Ni2—Ni1^xi	102.61 (3)
Ni1^viii—Sn3—Zn1^xviii	117.541 (19)	Sn1^xiii—Ni2—Ni1^xi	98.74 (3)
Zn1^xvii—Sn3—Zn1^xviii	90.682 (18)	Sn1^xiv—Ni2—Ni1^xi	44.938 (17)
Ni2^xii—Sn3—Sn3^xi	110.90 (2)	Zn1^xiv—Ni2—Ni1^xi	92.655 (16)
Ni1—Sn3—Sn3^xi	56.768 (16)	Zn1^xiii—Ni2—Ni1^xi	154.28 (2)
Ni3^xv—Sn3—Sn3^xi	101.57 (2)	Sn3^xxv—Ni2—Ni1^xi	136.662 (19)
Ni2^xvi—Sn3—Sn3^xi	136.623 (13)	Ni3—Ni2—Ni1^xi	90.16 (2)
Ni1^xi—Sn3—Sn3^xi	51.514 (15)	Ni1^ix—Ni2—Ni1^xi	46.95 (2)
Ni1^viii—Sn3—Sn3^xi	112.69 (2)	Ni1^x—Ni2—Ni1^xi	98.10 (3)
Zn1^xvii—Sn3—Sn3^xi	162.67 (2)	Sn2—Ni2—Ni1^xi	41.892 (12)
Zn1^xviii—Sn3—Sn3^xi	90.378 (16)	Ni2^xii—Ni2—Ni1^xi	43.797 (14)
Ni2^xii—Sn3—Sn3^viii	110.90 (2)	Ni2^xxvi—Ni2—Ni1^xi	142.20 (2)
Ni1—Sn3—Sn3^viii	56.768 (16)	Ni1^viii—Ni2—Ni1^xi	64.53 (2)
Ni3^xv—Sn3—Sn3^viii	101.57 (2)	Sn3^xii—Ni2—Ni2^xxiii	90.0
Ni2^xvi—Sn3—Sn3^viii	136.623 (13)	Sn1^xiii—Ni2—Ni2^xxiii	36.359 (15)
Ni1^xi—Sn3—Sn3^viii	112.69 (2)	Sn1^xiv—Ni2—Ni2^xxiii	143.641 (15)
Ni1^viii—Sn3—Sn3^viii	51.514 (15)	Zn1^xiv—Ni2—Ni2^xxiii	143.174 (15)
Zn1^xvii—Sn3—Sn3^viii	90.378 (16)	Zn1^xiii—Ni2—Ni2^xxiii	36.826 (15)
Zn1^xviii—Sn3—Sn3^viii	162.67 (2)	Sn3^xxv—Ni2—Ni2^xxiii	90.0
Sn3^xi—Sn3—Sn3^viii	83.58 (2)	Ni3—Ni2—Ni2^xxiii	90.0
Ni2^xii—Sn3—Sn2	54.69 (2)	Ni1^ix—Ni2—Ni2^xxiii	140.465 (17)
Ni1—Sn3—Sn2	106.59 (2)	Ni1^x—Ni2—Ni2^xxiii	39.535 (17)
Ni3^xv—Sn3—Sn2	169.50 (2)	Sn2—Ni2—Ni2^xxiii	90.0
Ni2^xvi—Sn3—Sn2	128.98 (2)	Ni2^xii—Ni2—Ni2^xxiii	90.0
Ni1^xi—Sn3—Sn2	50.237 (15)	Ni2^xxvi—Ni2—Ni2^xxiii	90.0
Ni1^viii—Sn3—Sn2	50.237 (15)	Ni1^viii—Ni2—Ni2^xxiii	57.736 (10)
Zn1^xvii—Sn3—Sn2	91.822 (11)	Ni1^xi—Ni2—Ni2^xxiii	122.264 (10)
Zn1^xviii—Sn3—Sn2	91.822 (11)	Sn3^xxv—Ni3—Sn3^xv	178.91 (4)
Sn3^xi—Sn3—Sn2	70.851 (14)	Sn3^xxv—Ni3—Sn2^xiii	89.661 (12)
Sn3^viii—Sn3—Sn2	70.851 (14)	Sn3^xv—Ni3—Sn2^xiii	89.661 (12)
Ni2^xii—Sn3—Sn2^viii	144.162 (10)	Sn3^xxv—Ni3—Sn2^xiv	89.661 (12)
Ni1—Sn3—Sn2^viii	44.528 (12)	Sn3^xv—Ni3—Sn2^xiv	89.661 (12)
Ni3^xv—Sn3—Sn2^viii	45.531 (14)	Sn2^xiii—Ni3—Sn2^xiv	103.38 (3)
Ni2^xvi—Sn3—Sn2^viii	93.140 (19)	Sn3^xxv—Ni3—Sn1^xiv	90.339 (12)
Ni1^xi—Sn3—Sn2^viii	152.810 (17)	Sn3^xv—Ni3—Sn1^xiv	90.339 (12)
Ni1^viii—Sn3—Sn2^viii	92.426 (18)	Sn2^xiii—Ni3—Sn1^xiv	179.93 (3)
Zn1^xvii—Sn3—Sn2^viii	88.707 (13)	Sn2^xiv—Ni3—Sn1^xiv	76.692 (19)
Zn1^xviii—Sn3—Sn2^viii	140.719 (13)	Sn3^xxv—Ni3—Sn1^xiii	90.339 (12)
Sn3^xi—Sn3—Sn2^viii	101.296 (19)	Sn3^xv—Ni3—Sn1^xiii	90.339 (12)
Sn3^viii—Sn3—Sn2^viii	56.605 (14)	Sn2^xiii—Ni3—Sn1^xiii	76.692 (19)
Sn2—Sn3—Sn2^viii	127.456 (12)	Sn2^xiv—Ni3—Sn1^xiii	179.93 (3)
Ni2^xii—Sn3—Sn2^xi	144.162 (10)	Sn1^xiv—Ni3—Sn1^xiii	103.24 (4)
Ni1—Sn3—Sn2^xi	44.528 (12)	Sn3^xxv—Ni3—Ni2	59.35 (2)
Ni3^xv—Sn3—Sn2^xi	45.531 (14)	Sn3^xv—Ni3—Ni2	121.75 (3)
Ni2^xvi—Sn3—Sn2^xi	93.140 (19)	Sn2^xiii—Ni3—Ni2	122.024 (14)
Ni1^xi—Sn3—Sn2^xi	92.426 (18)	Sn2^xiv—Ni3—Ni2	122.024 (14)
Ni1^viii—Sn3—Sn2^xi	152.810 (17)	Sn1^xiv—Ni3—Ni2	57.922 (19)
Zn1^xvii—Sn3—Sn2^xi	140.719 (13)	Sn1^xiii—Ni3—Ni2	57.922 (19)
Zn1^xviii—Sn3—Sn2^xi	88.707 (13)	Sn3^xxv—Ni3—Ni2^xii	121.75 (3)
Sn3^xi—Sn3—Sn2^xi	56.605 (14)	Sn3^xv—Ni3—Ni2^xii	59.35 (2)
Sn3^viii—Sn3—Sn2^xi	101.296 (19)	Sn2^xiii—Ni3—Ni2^xii	122.024 (14)
Sn2—Sn3—Sn2^xi	127.456 (12)	Sn2^xiv—Ni3—Ni2^xii	122.024 (14)
Sn2^viii—Sn3—Sn2^xi	68.106 (15)	Sn1^xiv—Ni3—Ni2^xii	57.922 (19)
Ni2^xii—Sn3—Sn1^viii	101.42 (2)	Sn1^xiii—Ni3—Ni2^xii	57.922 (19)
Ni1—Sn3—Sn1^viii	94.097 (19)	Ni2—Ni3—Ni2^xii	62.40 (4)
Ni3^xv—Sn3—Sn1^viii	45.215 (15)	Sn3^xxv—Ni3—Ni1^xv	121.16 (3)
Ni2^xvi—Sn3—Sn1^viii	43.675 (12)	Sn3^xv—Ni3—Ni1^xv	57.74 (2)
Ni1^xi—Sn3—Sn1^viii	150.878 (17)	Sn2^xiii—Ni3—Ni1^xv	58.171 (18)
Ni1^viii—Sn3—Sn1^viii	91.824 (18)	Sn2^xiv—Ni3—Ni1^xv	58.171 (18)
Zn1^xvii—Sn3—Sn1^viii	50.623 (10)	Sn1^xiv—Ni3—Ni1^xv	121.883 (14)
Zn1^xviii—Sn3—Sn1^viii	99.039 (15)	Sn1^xiii—Ni3—Ni1^xv	121.883 (14)
Sn3^xi—Sn3—Sn1^viii	145.941 (19)	Ni2—Ni3—Ni1^xv	179.49 (3)
Sn3^viii—Sn3—Sn1^viii	94.987 (15)	Ni2^xii—Ni3—Ni1^xv	117.09 (3)
Sn2—Sn3—Sn1^viii	140.621 (10)	Sn3^xxv—Ni3—Ni1^xxv	57.74 (2)
Sn2^viii—Sn3—Sn1^viii	52.404 (15)	Sn3^xv—Ni3—Ni1^xxv	121.16 (3)
Sn2^xi—Sn3—Sn1^viii	90.746 (17)	Sn2^xiii—Ni3—Ni1^xxv	58.171 (18)
Ni2^xii—Sn3—Sn1^xi	101.42 (2)	Sn2^xiv—Ni3—Ni1^xxv	58.171 (18)
Ni1—Sn3—Sn1^xi	94.097 (19)	Sn1^xiv—Ni3—Ni1^xxv	121.883 (14)
Ni3^xv—Sn3—Sn1^xi	45.215 (15)	Sn1^xiii—Ni3—Ni1^xxv	121.883 (14)
Ni2^xvi—Sn3—Sn1^xi	43.675 (12)	Ni2—Ni3—Ni1^xxv	117.09 (3)
Ni1^xi—Sn3—Sn1^xi	91.824 (18)	Ni2^xii—Ni3—Ni1^xxv	179.49 (3)
Ni1^viii—Sn3—Sn1^xi	150.878 (17)	Ni1^xv—Ni3—Ni1^xxv	63.42 (4)
Zn1^xvii—Sn3—Sn1^xi	99.039 (15)	Sn3^xxv—Ni3—Zn1^xiv	45.098 (11)
Zn1^xviii—Sn3—Sn1^xi	50.623 (10)	Sn3^xv—Ni3—Zn1^xiv	135.66 (2)
Sn3^xi—Sn3—Sn1^xi	94.987 (15)	Sn2^xiii—Ni3—Zn1^xiv	134.439 (8)
Sn3^viii—Sn3—Sn1^xi	145.941 (19)	Sn2^xiv—Ni3—Zn1^xiv	84.593 (12)
Sn2—Sn3—Sn1^xi	140.621 (9)	Sn1^xiv—Ni3—Zn1^xiv	45.554 (9)
Sn2^viii—Sn3—Sn1^xi	90.746 (17)	Sn1^xiii—Ni3—Zn1^xiv	95.36 (2)
Sn2^xi—Sn3—Sn1^xi	52.404 (15)	Ni2—Ni3—Zn1^xiv	38.176 (11)
Sn1^viii—Sn3—Sn1^xi	67.613 (15)	Ni2^xii—Ni3—Zn1^xiv	87.14 (2)
Ni1^xii—Zn1—Ni1^v	180.00 (3)	Ni1^xv—Ni3—Zn1^xiv	142.116 (16)
Ni1^xii—Zn1—Ni2^xix	63.858 (17)	Ni1^xxv—Ni3—Zn1^xiv	92.420 (17)
Ni1^v—Zn1—Ni2^xix	116.142 (17)	Sn3^xxv—Ni3—Zn1^xvii	135.66 (2)
Ni1^xii—Zn1—Ni2^iv	116.142 (17)	Sn3^xv—Ni3—Zn1^xvii	45.098 (11)
Ni1^v—Zn1—Ni2^iv	63.858 (17)	Sn2^xiii—Ni3—Zn1^xvii	84.593 (12)
Ni2^xix—Zn1—Ni2^iv	180.00 (4)	Sn2^xiv—Ni3—Zn1^xvii	134.439 (8)
Ni1^xii—Zn1—Ni2^xx	63.858 (17)	Sn1^xiv—Ni3—Zn1^xvii	95.36 (2)
Ni1^v—Zn1—Ni2^xx	116.142 (17)	Sn1^xiii—Ni3—Zn1^xvii	45.554 (9)
Ni2^xix—Zn1—Ni2^xx	106.35 (3)	Ni2—Ni3—Zn1^xvii	87.14 (2)
Ni2^iv—Zn1—Ni2^xx	73.65 (3)	Ni2^xii—Ni3—Zn1^xvii	38.176 (11)
Ni1^xii—Zn1—Ni2^i	116.142 (17)	Ni1^xv—Ni3—Zn1^xvii	92.420 (17)
Ni1^v—Zn1—Ni2^i	63.858 (17)	Ni1^xxv—Ni3—Zn1^xvii	142.116 (16)
Ni2^xix—Zn1—Ni2^i	73.65 (3)	Zn1^xiv—Ni3—Zn1^xvii	121.49 (2)
Ni2^iv—Zn1—Ni2^i	106.35 (3)	Sn3^xxv—Ni3—Zn1^xiii	45.098 (11)
Ni2^xx—Zn1—Ni2^i	180.00 (4)	Sn3^xv—Ni3—Zn1^xiii	135.66 (2)
Ni1^xii—Zn1—Sn3^iii	119.667 (14)	Sn2^xiii—Ni3—Zn1^xiii	84.593 (12)
Ni1^v—Zn1—Sn3^iii	60.333 (14)	Sn2^xiv—Ni3—Zn1^xiii	134.439 (7)
Ni2^xix—Zn1—Sn3^iii	56.352 (18)	Sn1^xiv—Ni3—Zn1^xiii	95.36 (2)
Ni2^iv—Zn1—Sn3^iii	123.648 (18)	Sn1^xiii—Ni3—Zn1^xiii	45.554 (9)
Ni2^xx—Zn1—Sn3^iii	125.778 (18)	Ni2—Ni3—Zn1^xiii	38.176 (11)
Ni2^i—Zn1—Sn3^iii	54.222 (18)	Ni2^xii—Ni3—Zn1^xiii	87.14 (2)
Ni1^xii—Zn1—Sn3^x	60.333 (14)	Ni1^xv—Ni3—Zn1^xiii	142.116 (16)
Ni1^v—Zn1—Sn3^x	119.667 (14)	Ni1^xxv—Ni3—Zn1^xiii	92.420 (17)
Ni2^xix—Zn1—Sn3^x	123.648 (18)	Zn1^xiv—Ni3—Zn1^xiii	60.822 (14)
Ni2^iv—Zn1—Sn3^x	56.352 (18)	Zn1^xvii—Ni3—Zn1^xiii	90.566 (18)
Ni2^xx—Zn1—Sn3^x	54.222 (18)	Sn3^xxv—Ni3—Zn1^xviii	135.66 (2)
Ni2^i—Zn1—Sn3^x	125.778 (18)	Sn3^xv—Ni3—Zn1^xviii	45.098 (11)
Sn3^iii—Zn1—Sn3^x	180.000 (9)	Sn2^xiii—Ni3—Zn1^xviii	134.439 (7)
Ni1^xii—Zn1—Sn3^ix	60.333 (14)	Sn2^xiv—Ni3—Zn1^xviii	84.593 (12)
Ni1^v—Zn1—Sn3^ix	119.667 (14)	Sn1^xiv—Ni3—Zn1^xviii	45.554 (9)
Ni2^xix—Zn1—Sn3^ix	54.222 (18)	Sn1^xiii—Ni3—Zn1^xviii	95.36 (2)
Ni2^iv—Zn1—Sn3^ix	125.778 (18)	Ni2—Ni3—Zn1^xviii	87.14 (2)
Ni2^xx—Zn1—Sn3^ix	123.648 (18)	Ni2^xii—Ni3—Zn1^xviii	38.176 (11)
Ni2^i—Zn1—Sn3^ix	56.352 (18)	Ni1^xv—Ni3—Zn1^xviii	92.420 (17)
Sn3^iii—Zn1—Sn3^ix	89.318 (18)	Ni1^xxv—Ni3—Zn1^xviii	142.116 (16)
Sn3^x—Zn1—Sn3^ix	90.682 (18)	Zn1^xiv—Ni3—Zn1^xviii	90.566 (18)
Ni1^xii—Zn1—Sn3^ii	119.667 (14)	Zn1^xvii—Ni3—Zn1^xviii	60.822 (14)
Ni1^v—Zn1—Sn3^ii	60.333 (14)	Zn1^xiii—Ni3—Zn1^xviii	121.49 (2)
Ni2^xix—Zn1—Sn3^ii	125.778 (18)	Sn3^xxv—Ni3—Ni3^xxiii	90.0
Ni2^iv—Zn1—Sn3^ii	54.222 (18)	Sn3^xv—Ni3—Ni3^xxiii	90.0
Ni2^xx—Zn1—Sn3^ii	56.352 (18)	Sn2^xiii—Ni3—Ni3^xxiii	38.311 (17)
Ni2^i—Zn1—Sn3^ii	123.648 (18)	Sn2^xiv—Ni3—Ni3^xxiii	141.689 (17)
Sn3^iii—Zn1—Sn3^ii	90.682 (18)	Sn1^xiv—Ni3—Ni3^xxiii	141.620 (18)
Sn3^x—Zn1—Sn3^ii	89.318 (18)	Sn1^xiii—Ni3—Ni3^xxiii	38.380 (18)
Sn3^ix—Zn1—Sn3^ii	180.0	Ni2—Ni3—Ni3^xxiii	90.0
Ni1^xii—Zn1—Sn1	119.74 (2)	Ni2^xii—Ni3—Ni3^xxiii	90.0
Ni1^v—Zn1—Sn1	60.26 (2)	Ni1^xv—Ni3—Ni3^xxiii	90.0
Ni2^xix—Zn1—Sn1	124.849 (15)	Ni1^xxv—Ni3—Ni3^xxiii	90.0
Ni2^iv—Zn1—Sn1	55.151 (15)	Zn1^xiv—Ni3—Ni3^xxiii	120.411 (7)
Ni2^xx—Zn1—Sn1	124.849 (15)	Zn1^xvii—Ni3—Ni3^xxiii	59.589 (7)
Ni2^i—Zn1—Sn1	55.151 (15)	Zn1^xiii—Ni3—Ni3^xxiii	59.589 (7)
Sn3^iii—Zn1—Sn1	100.824 (9)	Zn1^xviii—Ni3—Ni3^xxiii	120.411 (7)
Sn3^x—Zn1—Sn1	79.176 (9)

Symmetry codes: (i) x−1/2, y−1/2, z; (ii) x+1/2, y−1/2, −z+1/2; (iii) x−1/2, y−1/2, −z+1/2; (iv) x+1/2, y−1/2, z; (v) −x, −y, z−1/2; (vi) −x, −y, −z+1; (vii) −x, −y, z+1/2; (viii) −x+1/2, −y+1/2, −z+1; (ix) −x−1/2, −y+1/2, z−1/2; (x) −x+1/2, −y+1/2, z−1/2; (xi) −x−1/2, −y+1/2, −z+1; (xii) x, y, −z+1/2; (xiii) x+1/2, y+1/2, z; (xiv) x−1/2, y+1/2, z; (xv) −x, −y+1, −z+1; (xvi) −x, −y+1, z+1/2; (xvii) −x+1/2, −y+1/2, z+1/2; (xviii) −x−1/2, −y+1/2, z+1/2; (xix) −x−1/2, −y+1/2, −z; (xx) −x+1/2, −y+1/2, −z; (xxi) −x, −y, −z; (xxii) x, y, −z+3/2; (xxiii) x+1, y, z; (xxiv) x−1, y, z; (xxv) −x, −y+1, z−1/2; (xxvi) −x, −y+1, −z.