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The ternary Tb2–xNdxZn17–yNiy (x = 0.5, y = 4.83) disordered phase belongs to the structural family based on the rhombohedral Th2Zn17 structure type. The structure is maximally disordered since all the sites are occupied by statistical mixtures of atoms. The Tb/Nd mixture of atoms occupies the 6c site (site symmetry 3m). The statistical mixtures Ni/Zn consisting of more Ni atoms are located in the 6c and 9d (symmetry .2/m) sites. In the following 18f (site symmetry .2) and 18h (site symmetry .m) sites are located Zn/Ni statistical mixtures which consist of more Zn atoms. Zn/Ni atoms form three-dimensional networks with hexa­gonal channels that fill statistical mixtures of Tb/Nd and Ni/Zn. The Tb2–xNdxZn17–yNiy com­pound belongs to the family of inter­metallic phases capable of absorbing hydro­gen. In the structure, there are three types of voids, namely, 9e (site symmetry .2/m), 3b (site symmetry \overline{3}m) and 36i (site symmetry 1), in which hydro­gen can be inserted, and the maximum total absorption capacity can reach 1.21 wt% H2. Electrochemical hydro­genation shows that the phase absorbs 1.03% of H2, which indicates partial filling of the voids with H atoms.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S2053229623004369/yp3229sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2053229623004369/yp3229Isup2.hkl
Contains datablock I

CCDC reference: 2264171

Computing details top

Data collection: CrysAlis CCD (Oxford Diffraction, 2008); cell refinement: CrysAlis CCD (Oxford Diffraction, 2008); data reduction: CrysAlis RED (Oxford Diffraction, 2008); program(s) used to solve structure: SHELXS2014 (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015b); molecular graphics: DIAMOND (Brandenburg, 2006); software used to prepare material for publication: SHELXL2014 (Sheldrick, 2015b) and publCIF (Westrip, 2010).

(I) top
Crystal data top
Tb1.51Nd0.51Zn12.17Ni4.83Dx = 7.354 Mg m3
Dm = 7.34 (3) Mg m3
Dm measured by volumetric
Mr = 1389.69Mo Kα radiation, λ = 0.71073 Å
Trigonal, R3m:HCell parameters from 2378 reflections
a = 9.0637 (5) Åθ = 3.0–27.4°
c = 13.2319 (10) ŵ = 40.11 mm1
V = 941.38 (13) Å3T = 293 K
Z = 3Plate, metallic dark grey
F(000) = 18840.06 × 0.04 × 0.01 mm
Data collection top
Oxford Diffraction Xcalibur3 CCD
diffractometer
176 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.162
ω scansθmax = 27.4°, θmin = 3.0°
Absorption correction: analytical
(CrysAlis RED; Oxford Diffraction, 2008)
h = 1111
Tmin = 0.563, Tmax = 0.782k = 1111
2378 measured reflectionsl = 1717
285 independent reflections
Refinement top
Refinement on F222 parameters
Least-squares matrix: full0 restraints
R[F2 > 2σ(F2)] = 0.046 w = 1/[σ2(Fo2) + (0.0421P)2]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.096(Δ/σ)max < 0.001
S = 0.90Δρmax = 2.23 e Å3
285 reflectionsΔρmin = 2.04 e Å3
Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Tb10.00000.00000.33629 (16)0.0100 (5)0.7522
Nd10.00000.00000.33629 (16)0.0100 (5)0.2478
Ni20.00000.00000.1031 (4)0.0105 (11)0.851
Zn20.00000.00000.1031 (4)0.0105 (11)0.149
Ni30.50000.00000.50000.0105 (8)0.8741
Zn30.50000.00000.50000.0105 (8)0.1259
Ni40.2964 (3)0.00000.00000.0156 (8)0.0292
Zn40.2964 (3)0.00000.00000.0156 (8)0.9708
Ni50.49940 (18)0.50060 (18)0.1518 (2)0.0149 (7)0.0545
Zn50.49940 (18)0.50060 (18)0.1518 (2)0.0149 (7)0.9455
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Tb10.0113 (6)0.0113 (6)0.0074 (11)0.0056 (3)0.0000.000
Nd10.0113 (6)0.0113 (6)0.0074 (11)0.0056 (3)0.0000.000
Ni20.0106 (15)0.0106 (15)0.010 (3)0.0053 (8)0.0000.000
Zn20.0106 (15)0.0106 (15)0.010 (3)0.0053 (8)0.0000.000
Ni30.0107 (14)0.015 (2)0.0075 (18)0.0074 (11)0.0021 (8)0.0042 (16)
Zn30.0107 (14)0.015 (2)0.0075 (18)0.0074 (11)0.0021 (8)0.0042 (16)
Ni40.0196 (13)0.0142 (13)0.0112 (14)0.0071 (7)0.0005 (5)0.0010 (11)
Zn40.0196 (13)0.0142 (13)0.0112 (14)0.0071 (7)0.0005 (5)0.0010 (11)
Ni50.0129 (10)0.0129 (10)0.0159 (14)0.0041 (11)0.0009 (6)0.0009 (6)
Zn50.0129 (10)0.0129 (10)0.0159 (14)0.0041 (11)0.0009 (6)0.0009 (6)
Geometric parameters (Å, º) top
Tb1—Ni23.085 (5)Ni3—Ni4ii2.5984 (5)
Tb1—Zn4i3.2020 (16)Ni3—Zn5xii2.6285 (14)
Tb1—Zn4ii3.2020 (16)Ni3—Zn5ii2.6285 (14)
Tb1—Ni4i3.2020 (16)Ni3—Ni5xii2.6285 (14)
Tb1—Ni4ii3.2020 (16)Ni3—Ni5ii2.6285 (14)
Tb1—Zn4iii3.2021 (16)Ni4—Zn3viii2.5984 (5)
Tb1—Ni4iii3.2021 (16)Ni4—Ni3viii2.5984 (5)
Tb1—Zn4iv3.2021 (16)Ni4—Zn3xiii2.5984 (5)
Tb1—Ni4iv3.2021 (16)Ni4—Ni3xiii2.5984 (5)
Tb1—Zn4v3.2021 (16)Ni4—Zn4xiv2.686 (3)
Tb1—Ni4v3.2021 (16)Ni4—Ni4xiv2.686 (3)
Ni2—Zn2vi2.729 (10)Ni4—Zn4xv2.686 (3)
Ni2—Ni2vi2.729 (10)Ni4—Ni4xv2.686 (3)
Ni2—Zn3vii2.7482 (16)Ni4—Zn5xvi2.727 (3)
Ni2—Ni3vii2.7482 (16)Ni4—Ni5xvi2.727 (3)
Ni2—Zn3viii2.7483 (16)Ni4—Zn5xiv2.727 (3)
Ni2—Ni3viii2.7483 (16)Ni4—Ni5xiv2.727 (3)
Ni2—Zn3ix2.7483 (16)Ni5—Zn3xvii2.6286 (14)
Ni2—Ni3ix2.7483 (16)Ni5—Ni3xvii2.6286 (14)
Ni2—Zn5iv2.824 (4)Ni5—Zn3viii2.6286 (14)
Ni2—Ni5iv2.824 (4)Ni5—Ni3viii2.6286 (14)
Ni2—Zn5v2.824 (4)Ni5—Zn5xviii2.637 (3)
Ni2—Ni5v2.824 (4)Ni5—Ni5xviii2.637 (3)
Ni3—Zn4x2.5984 (5)Ni5—Zn5v2.637 (3)
Ni3—Zn4xi2.5984 (5)Ni5—Ni5v2.637 (3)
Ni3—Ni4x2.5984 (5)Ni5—Zn4xv2.727 (3)
Ni3—Ni4xi2.5984 (5)Ni5—Ni4xv2.727 (3)
Ni3—Zn4xii2.5984 (5)Ni5—Zn4xix2.727 (3)
Ni3—Zn4ii2.5984 (5)Ni5—Ni4xix2.727 (3)
Ni3—Ni4xii2.5984 (5)
Ni2—Tb1—Zn4i89.30 (4)Ni4xi—Ni3—Zn5ii117.10 (8)
Ni2—Tb1—Zn4ii89.30 (4)Zn4xii—Ni3—Zn5ii63.96 (6)
Zn4i—Tb1—Zn4ii70.39 (8)Zn4ii—Ni3—Zn5ii116.04 (6)
Ni2—Tb1—Ni4i89.30 (4)Ni4xii—Ni3—Zn5ii63.96 (6)
Zn4i—Tb1—Ni4i0.0Ni4ii—Ni3—Zn5ii116.04 (6)
Zn4ii—Tb1—Ni4i70.4Zn5xii—Ni3—Zn5ii180.0
Ni2—Tb1—Ni4ii89.30 (4)Zn4x—Ni3—Ni5xii117.10 (8)
Zn4i—Tb1—Ni4ii70.4Zn4xi—Ni3—Ni5xii62.90 (8)
Zn4ii—Tb1—Ni4ii0.0Ni4x—Ni3—Ni5xii117.10 (8)
Ni4i—Tb1—Ni4ii70.39 (8)Ni4xi—Ni3—Ni5xii62.90 (8)
Ni2—Tb1—Zn4iii89.30 (4)Zn4xii—Ni3—Ni5xii116.04 (6)
Zn4i—Tb1—Zn4iii49.60 (8)Zn4ii—Ni3—Ni5xii63.96 (6)
Zn4ii—Tb1—Zn4iii119.986 (2)Ni4xii—Ni3—Ni5xii116.04 (6)
Ni4i—Tb1—Zn4iii49.60 (8)Ni4ii—Ni3—Ni5xii63.96 (6)
Ni4ii—Tb1—Zn4iii119.986 (2)Zn5xii—Ni3—Ni5xii0.0
Ni2—Tb1—Ni4iii89.30 (4)Zn5ii—Ni3—Ni5xii180.0
Zn4i—Tb1—Ni4iii49.6Zn4x—Ni3—Ni5ii62.90 (8)
Zn4ii—Tb1—Ni4iii120.0Zn4xi—Ni3—Ni5ii117.10 (8)
Ni4i—Tb1—Ni4iii49.60 (8)Ni4x—Ni3—Ni5ii62.90 (8)
Ni4ii—Tb1—Ni4iii119.986 (2)Ni4xi—Ni3—Ni5ii117.10 (8)
Zn4iii—Tb1—Ni4iii0.0Zn4xii—Ni3—Ni5ii63.96 (6)
Ni2—Tb1—Zn4iv89.30 (4)Zn4ii—Ni3—Ni5ii116.04 (6)
Zn4i—Tb1—Zn4iv119.986 (2)Ni4xii—Ni3—Ni5ii63.96 (6)
Zn4ii—Tb1—Zn4iv49.60 (8)Ni4ii—Ni3—Ni5ii116.04 (6)
Ni4i—Tb1—Zn4iv119.986 (2)Zn5xii—Ni3—Ni5ii180.0
Ni4ii—Tb1—Zn4iv49.60 (8)Zn5ii—Ni3—Ni5ii0.0
Zn4iii—Tb1—Zn4iv169.51 (8)Ni5xii—Ni3—Ni5ii180.0
Ni4iii—Tb1—Zn4iv169.51 (8)Zn3viii—Ni4—Ni3viii0.0
Ni2—Tb1—Ni4iv89.30 (4)Zn3viii—Ni4—Zn3xiii161.38 (12)
Zn4i—Tb1—Ni4iv120.0Ni3viii—Ni4—Zn3xiii161.38 (12)
Zn4ii—Tb1—Ni4iv49.6Zn3viii—Ni4—Ni3xiii161.4
Ni4i—Tb1—Ni4iv119.986 (2)Ni3viii—Ni4—Ni3xiii161.38 (12)
Ni4ii—Tb1—Ni4iv49.60 (8)Zn3xiii—Ni4—Ni3xiii0.0
Zn4iii—Tb1—Ni4iv169.5Zn3viii—Ni4—Zn4xiv110.80 (4)
Ni4iii—Tb1—Ni4iv169.51 (8)Ni3viii—Ni4—Zn4xiv110.80 (4)
Zn4iv—Tb1—Ni4iv0.0Zn3xiii—Ni4—Zn4xiv58.87 (3)
Ni2—Tb1—Zn4v89.30 (4)Ni3xiii—Ni4—Zn4xiv58.87 (3)
Zn4i—Tb1—Zn4v119.985 (2)Zn3viii—Ni4—Ni4xiv110.80 (4)
Zn4ii—Tb1—Zn4v169.51 (8)Ni3viii—Ni4—Ni4xiv110.80 (4)
Ni4i—Tb1—Zn4v119.985 (2)Zn3xiii—Ni4—Ni4xiv58.87 (3)
Ni4ii—Tb1—Zn4v169.51 (8)Ni3xiii—Ni4—Ni4xiv58.87 (3)
Zn4iii—Tb1—Zn4v70.39 (8)Zn4xiv—Ni4—Ni4xiv0.0
Ni4iii—Tb1—Zn4v70.39 (8)Zn3viii—Ni4—Zn4xv58.87 (3)
Zn4iv—Tb1—Zn4v119.984 (2)Ni3viii—Ni4—Zn4xv58.87 (3)
Ni4iv—Tb1—Zn4v119.984 (2)Zn3xiii—Ni4—Zn4xv110.80 (4)
Ni2—Tb1—Ni4v89.30 (4)Ni3xiii—Ni4—Zn4xv110.80 (4)
Zn4i—Tb1—Ni4v120.0Zn4xiv—Ni4—Zn4xv120.0
Zn4ii—Tb1—Ni4v169.5Ni4xiv—Ni4—Zn4xv120.0
Ni4i—Tb1—Ni4v119.985 (2)Zn3viii—Ni4—Ni4xv58.87 (3)
Ni4ii—Tb1—Ni4v169.51 (8)Ni3viii—Ni4—Ni4xv58.87 (3)
Zn4iii—Tb1—Ni4v70.4Zn3xiii—Ni4—Ni4xv110.80 (4)
Ni4iii—Tb1—Ni4v70.39 (8)Ni3xiii—Ni4—Ni4xv110.80 (4)
Zn4iv—Tb1—Ni4v120.0Zn4xiv—Ni4—Ni4xv120.0
Ni4iv—Tb1—Ni4v119.984 (2)Ni4xiv—Ni4—Ni4xv120.0
Zn4v—Tb1—Ni4v0.0Zn4xv—Ni4—Ni4xv0.0
Zn2vi—Ni2—Ni2vi0.0Zn3viii—Ni4—Zn5xvi59.09 (5)
Zn2vi—Ni2—Zn3vii107.82 (10)Ni3viii—Ni4—Zn5xvi59.09 (5)
Ni2vi—Ni2—Zn3vii107.82 (10)Zn3xiii—Ni4—Zn5xvi137.11 (9)
Zn2vi—Ni2—Ni3vii107.82 (10)Ni3xiii—Ni4—Zn5xvi137.11 (9)
Ni2vi—Ni2—Ni3vii107.82 (10)Zn4xiv—Ni4—Zn5xvi109.59 (6)
Zn3vii—Ni2—Ni3vii0.0Ni4xiv—Ni4—Zn5xvi109.59 (6)
Zn2vi—Ni2—Zn3viii107.82 (10)Zn4xv—Ni4—Zn5xvi109.96 (6)
Ni2vi—Ni2—Zn3viii107.82 (10)Ni4xv—Ni4—Zn5xvi109.96 (6)
Zn3vii—Ni2—Zn3viii111.07 (9)Zn3viii—Ni4—Ni5xvi59.09 (5)
Ni3vii—Ni2—Zn3viii111.07 (9)Ni3viii—Ni4—Ni5xvi59.09 (5)
Zn2vi—Ni2—Ni3viii107.82 (10)Zn3xiii—Ni4—Ni5xvi137.11 (9)
Ni2vi—Ni2—Ni3viii107.82 (10)Ni3xiii—Ni4—Ni5xvi137.11 (9)
Zn3vii—Ni2—Ni3viii111.1Zn4xiv—Ni4—Ni5xvi109.59 (6)
Ni3vii—Ni2—Ni3viii111.07 (9)Ni4xiv—Ni4—Ni5xvi109.59 (6)
Zn3viii—Ni2—Ni3viii0.0Zn4xv—Ni4—Ni5xvi109.96 (6)
Zn2vi—Ni2—Zn3ix107.82 (10)Ni4xv—Ni4—Ni5xvi109.96 (6)
Ni2vi—Ni2—Zn3ix107.82 (10)Zn5xvi—Ni4—Ni5xvi0.0
Zn3vii—Ni2—Zn3ix111.07 (9)Zn3viii—Ni4—Zn5xiv137.11 (9)
Ni3vii—Ni2—Zn3ix111.07 (9)Ni3viii—Ni4—Zn5xiv137.11 (9)
Zn3viii—Ni2—Zn3ix111.07 (9)Zn3xiii—Ni4—Zn5xiv59.09 (5)
Ni3viii—Ni2—Zn3ix111.07 (9)Ni3xiii—Ni4—Zn5xiv59.09 (5)
Zn2vi—Ni2—Ni3ix107.82 (10)Zn4xiv—Ni4—Zn5xiv109.96 (6)
Ni2vi—Ni2—Ni3ix107.82 (10)Ni4xiv—Ni4—Zn5xiv109.96 (6)
Zn3vii—Ni2—Ni3ix111.1Zn4xv—Ni4—Zn5xiv109.59 (6)
Ni3vii—Ni2—Ni3ix111.07 (9)Ni4xv—Ni4—Zn5xiv109.59 (6)
Zn3viii—Ni2—Ni3ix111.1Zn5xvi—Ni4—Zn5xiv94.84 (11)
Ni3viii—Ni2—Ni3ix111.07 (9)Ni5xvi—Ni4—Zn5xiv94.84 (11)
Zn3ix—Ni2—Ni3ix0.0Zn3viii—Ni4—Ni5xiv137.11 (9)
Zn2vi—Ni2—Zn5iv111.57 (12)Ni3viii—Ni4—Ni5xiv137.11 (9)
Ni2vi—Ni2—Zn5iv111.57 (12)Zn3xiii—Ni4—Ni5xiv59.09 (5)
Zn3vii—Ni2—Zn5iv140.6 (2)Ni3xiii—Ni4—Ni5xiv59.09 (5)
Ni3vii—Ni2—Zn5iv140.6 (2)Zn4xiv—Ni4—Ni5xiv109.96 (6)
Zn3viii—Ni2—Zn5iv56.28 (4)Ni4xiv—Ni4—Ni5xiv109.96 (6)
Ni3viii—Ni2—Zn5iv56.28 (4)Zn4xv—Ni4—Ni5xiv109.59 (6)
Zn3ix—Ni2—Zn5iv56.28 (4)Ni4xv—Ni4—Ni5xiv109.59 (6)
Ni3ix—Ni2—Zn5iv56.28 (4)Zn5xvi—Ni4—Ni5xiv94.8
Zn2vi—Ni2—Ni5iv111.57 (12)Ni5xvi—Ni4—Ni5xiv94.84 (11)
Ni2vi—Ni2—Ni5iv111.57 (12)Zn5xiv—Ni4—Ni5xiv0.0
Zn3vii—Ni2—Ni5iv140.6 (2)Zn3xvii—Ni5—Ni3xvii0.0
Ni3vii—Ni2—Ni5iv140.6 (2)Zn3xvii—Ni5—Zn3viii119.09 (11)
Zn3viii—Ni2—Ni5iv56.28 (4)Ni3xvii—Ni5—Zn3viii119.09 (11)
Ni3viii—Ni2—Ni5iv56.28 (4)Zn3xvii—Ni5—Ni3viii119.1
Zn3ix—Ni2—Ni5iv56.28 (4)Ni3xvii—Ni5—Ni3viii119.09 (11)
Ni3ix—Ni2—Ni5iv56.28 (4)Zn3viii—Ni5—Ni3viii0.0
Zn5iv—Ni2—Ni5iv0.0Zn3xvii—Ni5—Zn5xviii59.90 (5)
Zn2vi—Ni2—Zn5v111.57 (12)Ni3xvii—Ni5—Zn5xviii59.90 (5)
Ni2vi—Ni2—Zn5v111.57 (12)Zn3viii—Ni5—Zn5xviii167.10 (17)
Zn3vii—Ni2—Zn5v56.28 (4)Ni3viii—Ni5—Zn5xviii167.10 (17)
Ni3vii—Ni2—Zn5v56.28 (4)Zn3xvii—Ni5—Ni5xviii59.90 (5)
Zn3viii—Ni2—Zn5v56.28 (4)Ni3xvii—Ni5—Ni5xviii59.90 (5)
Ni3viii—Ni2—Zn5v56.28 (4)Zn3viii—Ni5—Ni5xviii167.10 (17)
Zn3ix—Ni2—Zn5v140.6 (2)Ni3viii—Ni5—Ni5xviii167.10 (17)
Ni3ix—Ni2—Zn5v140.6 (2)Zn5xviii—Ni5—Ni5xviii0.0
Zn5iv—Ni2—Zn5v107.29 (13)Zn3xvii—Ni5—Zn5v167.10 (17)
Ni5iv—Ni2—Zn5v107.29 (13)Ni3xvii—Ni5—Zn5v167.10 (17)
Zn2vi—Ni2—Ni5v111.57 (12)Zn3viii—Ni5—Zn5v59.90 (5)
Ni2vi—Ni2—Ni5v111.57 (12)Ni3viii—Ni5—Zn5v59.90 (5)
Zn3vii—Ni2—Ni5v56.28 (4)Zn5xviii—Ni5—Zn5v117.80 (6)
Ni3vii—Ni2—Ni5v56.28 (4)Ni5xviii—Ni5—Zn5v117.80 (6)
Zn3viii—Ni2—Ni5v56.28 (4)Zn3xvii—Ni5—Ni5v167.10 (17)
Ni3viii—Ni2—Ni5v56.28 (4)Ni3xvii—Ni5—Ni5v167.10 (17)
Zn3ix—Ni2—Ni5v140.6 (2)Zn3viii—Ni5—Ni5v59.90 (5)
Ni3ix—Ni2—Ni5v140.6 (2)Ni3viii—Ni5—Ni5v59.90 (5)
Zn5iv—Ni2—Ni5v107.3Zn5xviii—Ni5—Ni5v117.8
Ni5iv—Ni2—Ni5v107.29 (13)Ni5xviii—Ni5—Ni5v117.80 (6)
Zn5v—Ni2—Ni5v0.0Zn5v—Ni5—Ni5v0.0
Zn4x—Ni3—Zn4xi180.0Zn3xvii—Ni5—Zn4xv129.55 (11)
Zn4x—Ni3—Ni4x0.0Ni3xvii—Ni5—Zn4xv129.55 (11)
Zn4xi—Ni3—Ni4x180.0Zn3viii—Ni5—Zn4xv58.01 (4)
Zn4x—Ni3—Ni4xi180.0Ni3viii—Ni5—Zn4xv58.01 (4)
Zn4xi—Ni3—Ni4xi0.0Zn5xviii—Ni5—Zn4xv133.72 (14)
Ni4x—Ni3—Ni4xi180.0Ni5xviii—Ni5—Zn4xv133.72 (14)
Zn4x—Ni3—Zn4xii117.75 (6)Zn5v—Ni5—Zn4xv62.12 (9)
Zn4xi—Ni3—Zn4xii62.25 (6)Ni5v—Ni5—Zn4xv62.12 (9)
Ni4x—Ni3—Zn4xii117.75 (6)Zn3xvii—Ni5—Ni4xv129.55 (11)
Ni4xi—Ni3—Zn4xii62.25 (6)Ni3xvii—Ni5—Ni4xv129.55 (11)
Zn4x—Ni3—Zn4ii62.25 (6)Zn3viii—Ni5—Ni4xv58.01 (4)
Zn4xi—Ni3—Zn4ii117.75 (6)Ni3viii—Ni5—Ni4xv58.01 (4)
Ni4x—Ni3—Zn4ii62.25 (6)Zn5xviii—Ni5—Ni4xv133.72 (14)
Ni4xi—Ni3—Zn4ii117.75 (6)Ni5xviii—Ni5—Ni4xv133.72 (14)
Zn4xii—Ni3—Zn4ii180.0Zn5v—Ni5—Ni4xv62.12 (9)
Zn4x—Ni3—Ni4xii117.7Ni5v—Ni5—Ni4xv62.12 (9)
Zn4xi—Ni3—Ni4xii62.3Zn4xv—Ni5—Ni4xv0.0
Ni4x—Ni3—Ni4xii117.75 (6)Zn3xvii—Ni5—Zn4xix58.01 (4)
Ni4xi—Ni3—Ni4xii62.25 (6)Ni3xvii—Ni5—Zn4xix58.01 (4)
Zn4xii—Ni3—Ni4xii0.0Zn3viii—Ni5—Zn4xix129.55 (11)
Zn4ii—Ni3—Ni4xii180.0Ni3viii—Ni5—Zn4xix129.55 (11)
Zn4x—Ni3—Ni4ii62.3Zn5xviii—Ni5—Zn4xix62.12 (9)
Zn4xi—Ni3—Ni4ii117.7Ni5xviii—Ni5—Zn4xix62.12 (9)
Ni4x—Ni3—Ni4ii62.25 (6)Zn5v—Ni5—Zn4xix133.72 (14)
Ni4xi—Ni3—Ni4ii117.75 (6)Ni5v—Ni5—Zn4xix133.72 (14)
Zn4xii—Ni3—Ni4ii180.0Zn4xv—Ni5—Zn4xix85.16 (11)
Zn4ii—Ni3—Ni4ii0.0Ni4xv—Ni5—Zn4xix85.16 (11)
Ni4xii—Ni3—Ni4ii180.0Zn3xvii—Ni5—Ni4xix58.01 (4)
Zn4x—Ni3—Zn5xii117.10 (8)Ni3xvii—Ni5—Ni4xix58.01 (4)
Zn4xi—Ni3—Zn5xii62.90 (8)Zn3viii—Ni5—Ni4xix129.55 (11)
Ni4x—Ni3—Zn5xii117.10 (8)Ni3viii—Ni5—Ni4xix129.55 (11)
Ni4xi—Ni3—Zn5xii62.90 (8)Zn5xviii—Ni5—Ni4xix62.12 (9)
Zn4xii—Ni3—Zn5xii116.04 (6)Ni5xviii—Ni5—Ni4xix62.12 (9)
Zn4ii—Ni3—Zn5xii63.96 (6)Zn5v—Ni5—Ni4xix133.72 (14)
Ni4xii—Ni3—Zn5xii116.04 (6)Ni5v—Ni5—Ni4xix133.72 (14)
Ni4ii—Ni3—Zn5xii63.96 (6)Zn4xv—Ni5—Ni4xix85.2
Zn4x—Ni3—Zn5ii62.90 (8)Ni4xv—Ni5—Ni4xix85.16 (11)
Zn4xi—Ni3—Zn5ii117.10 (8)Zn4xix—Ni5—Ni4xix0.0
Ni4x—Ni3—Zn5ii62.90 (8)
Symmetry codes: (i) xy1/3, x2/3, z+1/3; (ii) x+y+2/3, x+1/3, z+1/3; (iii) y1/3, xy2/3, z+1/3; (iv) x+2/3, y+1/3, z+1/3; (v) y1/3, x+y+1/3, z+1/3; (vi) x, y, z; (vii) x+y+1/3, x+2/3, z1/3; (viii) y+1/3, xy1/3, z1/3; (ix) x2/3, y1/3, z1/3; (x) y+2/3, x+y+1/3, z+1/3; (xi) y+1/3, xy1/3, z+2/3; (xii) xy+1/3, x1/3, z+2/3; (xiii) x+y+2/3, x+1/3, z2/3; (xiv) y, x+y, z; (xv) xy, x, z; (xvi) y+1, xy, z; (xvii) x+1/3, y+2/3, z1/3; (xviii) xy+2/3, x+1/3, z+1/3; (xix) x+y+1, x+1, z.
 

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