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The ternary Tb
2–xNd
xZn
17–yNi
y (
x = 0.5,
y = 4.83) disordered phase belongs to the structural family based on the rhombohedral Th
2Zn
17 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 6
c site (site symmetry 3
m). The statistical mixtures Ni/Zn consisting of more Ni atoms are located in the 6
c and 9
d (symmetry .2/
m) sites. In the following 18
f (site symmetry .2) and 18
h (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 Tb
2–xNd
xZn
17–yNi
y compound belongs to the family of intermetallic phases capable of absorbing hydrogen. In the structure, there are three types of voids, namely, 9
e (site symmetry .2/
m), 3
b (site symmetry
m) and 36
i (site symmetry 1), in which hydrogen can be inserted, and the maximum total absorption capacity can reach 1.21 wt% H
2. Electrochemical hydrogenation shows that the phase absorbs 1.03% of H
2, which indicates partial filling of the voids with H atoms.
Supporting information
CCDC reference: 2264171
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).
Crystal data top
Tb1.51Nd0.51Zn12.17Ni4.83 | Dx = 7.354 Mg m−3 Dm = 7.34 (3) Mg m−3 Dm measured by volumetric |
Mr = 1389.69 | Mo Kα radiation, λ = 0.71073 Å |
Trigonal, R3m:H | Cell parameters from 2378 reflections |
a = 9.0637 (5) Å | θ = 3.0–27.4° |
c = 13.2319 (10) Å | µ = 40.11 mm−1 |
V = 941.38 (13) Å3 | T = 293 K |
Z = 3 | Plate, metallic dark grey |
F(000) = 1884 | 0.06 × 0.04 × 0.01 mm |
Data collection top
Oxford Diffraction Xcalibur3 CCD diffractometer | 176 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.162 |
ω scans | θmax = 27.4°, θmin = 3.0° |
Absorption correction: analytical (CrysAlis RED; Oxford Diffraction, 2008) | h = −11→11 |
Tmin = 0.563, Tmax = 0.782 | k = −11→11 |
2378 measured reflections | l = −17→17 |
285 independent reflections | |
Refinement top
Refinement on F2 | 22 parameters |
Least-squares matrix: full | 0 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 = 0.90 | Δρmax = 2.23 e Å−3 |
285 reflections | Δρmin = −2.04 e Å−3 |
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 | x | y | z | Uiso*/Ueq | Occ. (<1) |
Tb1 | 0.0000 | 0.0000 | 0.33629 (16) | 0.0100 (5) | 0.7522 |
Nd1 | 0.0000 | 0.0000 | 0.33629 (16) | 0.0100 (5) | 0.2478 |
Ni2 | 0.0000 | 0.0000 | 0.1031 (4) | 0.0105 (11) | 0.851 |
Zn2 | 0.0000 | 0.0000 | 0.1031 (4) | 0.0105 (11) | 0.149 |
Ni3 | 0.5000 | 0.0000 | 0.5000 | 0.0105 (8) | 0.8741 |
Zn3 | 0.5000 | 0.0000 | 0.5000 | 0.0105 (8) | 0.1259 |
Ni4 | 0.2964 (3) | 0.0000 | 0.0000 | 0.0156 (8) | 0.0292 |
Zn4 | 0.2964 (3) | 0.0000 | 0.0000 | 0.0156 (8) | 0.9708 |
Ni5 | 0.49940 (18) | 0.50060 (18) | 0.1518 (2) | 0.0149 (7) | 0.0545 |
Zn5 | 0.49940 (18) | 0.50060 (18) | 0.1518 (2) | 0.0149 (7) | 0.9455 |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Tb1 | 0.0113 (6) | 0.0113 (6) | 0.0074 (11) | 0.0056 (3) | 0.000 | 0.000 |
Nd1 | 0.0113 (6) | 0.0113 (6) | 0.0074 (11) | 0.0056 (3) | 0.000 | 0.000 |
Ni2 | 0.0106 (15) | 0.0106 (15) | 0.010 (3) | 0.0053 (8) | 0.000 | 0.000 |
Zn2 | 0.0106 (15) | 0.0106 (15) | 0.010 (3) | 0.0053 (8) | 0.000 | 0.000 |
Ni3 | 0.0107 (14) | 0.015 (2) | 0.0075 (18) | 0.0074 (11) | 0.0021 (8) | 0.0042 (16) |
Zn3 | 0.0107 (14) | 0.015 (2) | 0.0075 (18) | 0.0074 (11) | 0.0021 (8) | 0.0042 (16) |
Ni4 | 0.0196 (13) | 0.0142 (13) | 0.0112 (14) | 0.0071 (7) | 0.0005 (5) | 0.0010 (11) |
Zn4 | 0.0196 (13) | 0.0142 (13) | 0.0112 (14) | 0.0071 (7) | 0.0005 (5) | 0.0010 (11) |
Ni5 | 0.0129 (10) | 0.0129 (10) | 0.0159 (14) | 0.0041 (11) | −0.0009 (6) | 0.0009 (6) |
Zn5 | 0.0129 (10) | 0.0129 (10) | 0.0159 (14) | 0.0041 (11) | −0.0009 (6) | 0.0009 (6) |
Geometric parameters (Å, º) top
Tb1—Ni2 | 3.085 (5) | Ni3—Ni4ii | 2.5984 (5) |
Tb1—Zn4i | 3.2020 (16) | Ni3—Zn5xii | 2.6285 (14) |
Tb1—Zn4ii | 3.2020 (16) | Ni3—Zn5ii | 2.6285 (14) |
Tb1—Ni4i | 3.2020 (16) | Ni3—Ni5xii | 2.6285 (14) |
Tb1—Ni4ii | 3.2020 (16) | Ni3—Ni5ii | 2.6285 (14) |
Tb1—Zn4iii | 3.2021 (16) | Ni4—Zn3viii | 2.5984 (5) |
Tb1—Ni4iii | 3.2021 (16) | Ni4—Ni3viii | 2.5984 (5) |
Tb1—Zn4iv | 3.2021 (16) | Ni4—Zn3xiii | 2.5984 (5) |
Tb1—Ni4iv | 3.2021 (16) | Ni4—Ni3xiii | 2.5984 (5) |
Tb1—Zn4v | 3.2021 (16) | Ni4—Zn4xiv | 2.686 (3) |
Tb1—Ni4v | 3.2021 (16) | Ni4—Ni4xiv | 2.686 (3) |
Ni2—Zn2vi | 2.729 (10) | Ni4—Zn4xv | 2.686 (3) |
Ni2—Ni2vi | 2.729 (10) | Ni4—Ni4xv | 2.686 (3) |
Ni2—Zn3vii | 2.7482 (16) | Ni4—Zn5xvi | 2.727 (3) |
Ni2—Ni3vii | 2.7482 (16) | Ni4—Ni5xvi | 2.727 (3) |
Ni2—Zn3viii | 2.7483 (16) | Ni4—Zn5xiv | 2.727 (3) |
Ni2—Ni3viii | 2.7483 (16) | Ni4—Ni5xiv | 2.727 (3) |
Ni2—Zn3ix | 2.7483 (16) | Ni5—Zn3xvii | 2.6286 (14) |
Ni2—Ni3ix | 2.7483 (16) | Ni5—Ni3xvii | 2.6286 (14) |
Ni2—Zn5iv | 2.824 (4) | Ni5—Zn3viii | 2.6286 (14) |
Ni2—Ni5iv | 2.824 (4) | Ni5—Ni3viii | 2.6286 (14) |
Ni2—Zn5v | 2.824 (4) | Ni5—Zn5xviii | 2.637 (3) |
Ni2—Ni5v | 2.824 (4) | Ni5—Ni5xviii | 2.637 (3) |
Ni3—Zn4x | 2.5984 (5) | Ni5—Zn5v | 2.637 (3) |
Ni3—Zn4xi | 2.5984 (5) | Ni5—Ni5v | 2.637 (3) |
Ni3—Ni4x | 2.5984 (5) | Ni5—Zn4xv | 2.727 (3) |
Ni3—Ni4xi | 2.5984 (5) | Ni5—Ni4xv | 2.727 (3) |
Ni3—Zn4xii | 2.5984 (5) | Ni5—Zn4xix | 2.727 (3) |
Ni3—Zn4ii | 2.5984 (5) | Ni5—Ni4xix | 2.727 (3) |
Ni3—Ni4xii | 2.5984 (5) | | |
| | | |
Ni2—Tb1—Zn4i | 89.30 (4) | Ni4xi—Ni3—Zn5ii | 117.10 (8) |
Ni2—Tb1—Zn4ii | 89.30 (4) | Zn4xii—Ni3—Zn5ii | 63.96 (6) |
Zn4i—Tb1—Zn4ii | 70.39 (8) | Zn4ii—Ni3—Zn5ii | 116.04 (6) |
Ni2—Tb1—Ni4i | 89.30 (4) | Ni4xii—Ni3—Zn5ii | 63.96 (6) |
Zn4i—Tb1—Ni4i | 0.0 | Ni4ii—Ni3—Zn5ii | 116.04 (6) |
Zn4ii—Tb1—Ni4i | 70.4 | Zn5xii—Ni3—Zn5ii | 180.0 |
Ni2—Tb1—Ni4ii | 89.30 (4) | Zn4x—Ni3—Ni5xii | 117.10 (8) |
Zn4i—Tb1—Ni4ii | 70.4 | Zn4xi—Ni3—Ni5xii | 62.90 (8) |
Zn4ii—Tb1—Ni4ii | 0.0 | Ni4x—Ni3—Ni5xii | 117.10 (8) |
Ni4i—Tb1—Ni4ii | 70.39 (8) | Ni4xi—Ni3—Ni5xii | 62.90 (8) |
Ni2—Tb1—Zn4iii | 89.30 (4) | Zn4xii—Ni3—Ni5xii | 116.04 (6) |
Zn4i—Tb1—Zn4iii | 49.60 (8) | Zn4ii—Ni3—Ni5xii | 63.96 (6) |
Zn4ii—Tb1—Zn4iii | 119.986 (2) | Ni4xii—Ni3—Ni5xii | 116.04 (6) |
Ni4i—Tb1—Zn4iii | 49.60 (8) | Ni4ii—Ni3—Ni5xii | 63.96 (6) |
Ni4ii—Tb1—Zn4iii | 119.986 (2) | Zn5xii—Ni3—Ni5xii | 0.0 |
Ni2—Tb1—Ni4iii | 89.30 (4) | Zn5ii—Ni3—Ni5xii | 180.0 |
Zn4i—Tb1—Ni4iii | 49.6 | Zn4x—Ni3—Ni5ii | 62.90 (8) |
Zn4ii—Tb1—Ni4iii | 120.0 | Zn4xi—Ni3—Ni5ii | 117.10 (8) |
Ni4i—Tb1—Ni4iii | 49.60 (8) | Ni4x—Ni3—Ni5ii | 62.90 (8) |
Ni4ii—Tb1—Ni4iii | 119.986 (2) | Ni4xi—Ni3—Ni5ii | 117.10 (8) |
Zn4iii—Tb1—Ni4iii | 0.0 | Zn4xii—Ni3—Ni5ii | 63.96 (6) |
Ni2—Tb1—Zn4iv | 89.30 (4) | Zn4ii—Ni3—Ni5ii | 116.04 (6) |
Zn4i—Tb1—Zn4iv | 119.986 (2) | Ni4xii—Ni3—Ni5ii | 63.96 (6) |
Zn4ii—Tb1—Zn4iv | 49.60 (8) | Ni4ii—Ni3—Ni5ii | 116.04 (6) |
Ni4i—Tb1—Zn4iv | 119.986 (2) | Zn5xii—Ni3—Ni5ii | 180.0 |
Ni4ii—Tb1—Zn4iv | 49.60 (8) | Zn5ii—Ni3—Ni5ii | 0.0 |
Zn4iii—Tb1—Zn4iv | 169.51 (8) | Ni5xii—Ni3—Ni5ii | 180.0 |
Ni4iii—Tb1—Zn4iv | 169.51 (8) | Zn3viii—Ni4—Ni3viii | 0.0 |
Ni2—Tb1—Ni4iv | 89.30 (4) | Zn3viii—Ni4—Zn3xiii | 161.38 (12) |
Zn4i—Tb1—Ni4iv | 120.0 | Ni3viii—Ni4—Zn3xiii | 161.38 (12) |
Zn4ii—Tb1—Ni4iv | 49.6 | Zn3viii—Ni4—Ni3xiii | 161.4 |
Ni4i—Tb1—Ni4iv | 119.986 (2) | Ni3viii—Ni4—Ni3xiii | 161.38 (12) |
Ni4ii—Tb1—Ni4iv | 49.60 (8) | Zn3xiii—Ni4—Ni3xiii | 0.0 |
Zn4iii—Tb1—Ni4iv | 169.5 | Zn3viii—Ni4—Zn4xiv | 110.80 (4) |
Ni4iii—Tb1—Ni4iv | 169.51 (8) | Ni3viii—Ni4—Zn4xiv | 110.80 (4) |
Zn4iv—Tb1—Ni4iv | 0.0 | Zn3xiii—Ni4—Zn4xiv | 58.87 (3) |
Ni2—Tb1—Zn4v | 89.30 (4) | Ni3xiii—Ni4—Zn4xiv | 58.87 (3) |
Zn4i—Tb1—Zn4v | 119.985 (2) | Zn3viii—Ni4—Ni4xiv | 110.80 (4) |
Zn4ii—Tb1—Zn4v | 169.51 (8) | Ni3viii—Ni4—Ni4xiv | 110.80 (4) |
Ni4i—Tb1—Zn4v | 119.985 (2) | Zn3xiii—Ni4—Ni4xiv | 58.87 (3) |
Ni4ii—Tb1—Zn4v | 169.51 (8) | Ni3xiii—Ni4—Ni4xiv | 58.87 (3) |
Zn4iii—Tb1—Zn4v | 70.39 (8) | Zn4xiv—Ni4—Ni4xiv | 0.0 |
Ni4iii—Tb1—Zn4v | 70.39 (8) | Zn3viii—Ni4—Zn4xv | 58.87 (3) |
Zn4iv—Tb1—Zn4v | 119.984 (2) | Ni3viii—Ni4—Zn4xv | 58.87 (3) |
Ni4iv—Tb1—Zn4v | 119.984 (2) | Zn3xiii—Ni4—Zn4xv | 110.80 (4) |
Ni2—Tb1—Ni4v | 89.30 (4) | Ni3xiii—Ni4—Zn4xv | 110.80 (4) |
Zn4i—Tb1—Ni4v | 120.0 | Zn4xiv—Ni4—Zn4xv | 120.0 |
Zn4ii—Tb1—Ni4v | 169.5 | Ni4xiv—Ni4—Zn4xv | 120.0 |
Ni4i—Tb1—Ni4v | 119.985 (2) | Zn3viii—Ni4—Ni4xv | 58.87 (3) |
Ni4ii—Tb1—Ni4v | 169.51 (8) | Ni3viii—Ni4—Ni4xv | 58.87 (3) |
Zn4iii—Tb1—Ni4v | 70.4 | Zn3xiii—Ni4—Ni4xv | 110.80 (4) |
Ni4iii—Tb1—Ni4v | 70.39 (8) | Ni3xiii—Ni4—Ni4xv | 110.80 (4) |
Zn4iv—Tb1—Ni4v | 120.0 | Zn4xiv—Ni4—Ni4xv | 120.0 |
Ni4iv—Tb1—Ni4v | 119.984 (2) | Ni4xiv—Ni4—Ni4xv | 120.0 |
Zn4v—Tb1—Ni4v | 0.0 | Zn4xv—Ni4—Ni4xv | 0.0 |
Zn2vi—Ni2—Ni2vi | 0.0 | Zn3viii—Ni4—Zn5xvi | 59.09 (5) |
Zn2vi—Ni2—Zn3vii | 107.82 (10) | Ni3viii—Ni4—Zn5xvi | 59.09 (5) |
Ni2vi—Ni2—Zn3vii | 107.82 (10) | Zn3xiii—Ni4—Zn5xvi | 137.11 (9) |
Zn2vi—Ni2—Ni3vii | 107.82 (10) | Ni3xiii—Ni4—Zn5xvi | 137.11 (9) |
Ni2vi—Ni2—Ni3vii | 107.82 (10) | Zn4xiv—Ni4—Zn5xvi | 109.59 (6) |
Zn3vii—Ni2—Ni3vii | 0.0 | Ni4xiv—Ni4—Zn5xvi | 109.59 (6) |
Zn2vi—Ni2—Zn3viii | 107.82 (10) | Zn4xv—Ni4—Zn5xvi | 109.96 (6) |
Ni2vi—Ni2—Zn3viii | 107.82 (10) | Ni4xv—Ni4—Zn5xvi | 109.96 (6) |
Zn3vii—Ni2—Zn3viii | 111.07 (9) | Zn3viii—Ni4—Ni5xvi | 59.09 (5) |
Ni3vii—Ni2—Zn3viii | 111.07 (9) | Ni3viii—Ni4—Ni5xvi | 59.09 (5) |
Zn2vi—Ni2—Ni3viii | 107.82 (10) | Zn3xiii—Ni4—Ni5xvi | 137.11 (9) |
Ni2vi—Ni2—Ni3viii | 107.82 (10) | Ni3xiii—Ni4—Ni5xvi | 137.11 (9) |
Zn3vii—Ni2—Ni3viii | 111.1 | Zn4xiv—Ni4—Ni5xvi | 109.59 (6) |
Ni3vii—Ni2—Ni3viii | 111.07 (9) | Ni4xiv—Ni4—Ni5xvi | 109.59 (6) |
Zn3viii—Ni2—Ni3viii | 0.0 | Zn4xv—Ni4—Ni5xvi | 109.96 (6) |
Zn2vi—Ni2—Zn3ix | 107.82 (10) | Ni4xv—Ni4—Ni5xvi | 109.96 (6) |
Ni2vi—Ni2—Zn3ix | 107.82 (10) | Zn5xvi—Ni4—Ni5xvi | 0.0 |
Zn3vii—Ni2—Zn3ix | 111.07 (9) | Zn3viii—Ni4—Zn5xiv | 137.11 (9) |
Ni3vii—Ni2—Zn3ix | 111.07 (9) | Ni3viii—Ni4—Zn5xiv | 137.11 (9) |
Zn3viii—Ni2—Zn3ix | 111.07 (9) | Zn3xiii—Ni4—Zn5xiv | 59.09 (5) |
Ni3viii—Ni2—Zn3ix | 111.07 (9) | Ni3xiii—Ni4—Zn5xiv | 59.09 (5) |
Zn2vi—Ni2—Ni3ix | 107.82 (10) | Zn4xiv—Ni4—Zn5xiv | 109.96 (6) |
Ni2vi—Ni2—Ni3ix | 107.82 (10) | Ni4xiv—Ni4—Zn5xiv | 109.96 (6) |
Zn3vii—Ni2—Ni3ix | 111.1 | Zn4xv—Ni4—Zn5xiv | 109.59 (6) |
Ni3vii—Ni2—Ni3ix | 111.07 (9) | Ni4xv—Ni4—Zn5xiv | 109.59 (6) |
Zn3viii—Ni2—Ni3ix | 111.1 | Zn5xvi—Ni4—Zn5xiv | 94.84 (11) |
Ni3viii—Ni2—Ni3ix | 111.07 (9) | Ni5xvi—Ni4—Zn5xiv | 94.84 (11) |
Zn3ix—Ni2—Ni3ix | 0.0 | Zn3viii—Ni4—Ni5xiv | 137.11 (9) |
Zn2vi—Ni2—Zn5iv | 111.57 (12) | Ni3viii—Ni4—Ni5xiv | 137.11 (9) |
Ni2vi—Ni2—Zn5iv | 111.57 (12) | Zn3xiii—Ni4—Ni5xiv | 59.09 (5) |
Zn3vii—Ni2—Zn5iv | 140.6 (2) | Ni3xiii—Ni4—Ni5xiv | 59.09 (5) |
Ni3vii—Ni2—Zn5iv | 140.6 (2) | Zn4xiv—Ni4—Ni5xiv | 109.96 (6) |
Zn3viii—Ni2—Zn5iv | 56.28 (4) | Ni4xiv—Ni4—Ni5xiv | 109.96 (6) |
Ni3viii—Ni2—Zn5iv | 56.28 (4) | Zn4xv—Ni4—Ni5xiv | 109.59 (6) |
Zn3ix—Ni2—Zn5iv | 56.28 (4) | Ni4xv—Ni4—Ni5xiv | 109.59 (6) |
Ni3ix—Ni2—Zn5iv | 56.28 (4) | Zn5xvi—Ni4—Ni5xiv | 94.8 |
Zn2vi—Ni2—Ni5iv | 111.57 (12) | Ni5xvi—Ni4—Ni5xiv | 94.84 (11) |
Ni2vi—Ni2—Ni5iv | 111.57 (12) | Zn5xiv—Ni4—Ni5xiv | 0.0 |
Zn3vii—Ni2—Ni5iv | 140.6 (2) | Zn3xvii—Ni5—Ni3xvii | 0.0 |
Ni3vii—Ni2—Ni5iv | 140.6 (2) | Zn3xvii—Ni5—Zn3viii | 119.09 (11) |
Zn3viii—Ni2—Ni5iv | 56.28 (4) | Ni3xvii—Ni5—Zn3viii | 119.09 (11) |
Ni3viii—Ni2—Ni5iv | 56.28 (4) | Zn3xvii—Ni5—Ni3viii | 119.1 |
Zn3ix—Ni2—Ni5iv | 56.28 (4) | Ni3xvii—Ni5—Ni3viii | 119.09 (11) |
Ni3ix—Ni2—Ni5iv | 56.28 (4) | Zn3viii—Ni5—Ni3viii | 0.0 |
Zn5iv—Ni2—Ni5iv | 0.0 | Zn3xvii—Ni5—Zn5xviii | 59.90 (5) |
Zn2vi—Ni2—Zn5v | 111.57 (12) | Ni3xvii—Ni5—Zn5xviii | 59.90 (5) |
Ni2vi—Ni2—Zn5v | 111.57 (12) | Zn3viii—Ni5—Zn5xviii | 167.10 (17) |
Zn3vii—Ni2—Zn5v | 56.28 (4) | Ni3viii—Ni5—Zn5xviii | 167.10 (17) |
Ni3vii—Ni2—Zn5v | 56.28 (4) | Zn3xvii—Ni5—Ni5xviii | 59.90 (5) |
Zn3viii—Ni2—Zn5v | 56.28 (4) | Ni3xvii—Ni5—Ni5xviii | 59.90 (5) |
Ni3viii—Ni2—Zn5v | 56.28 (4) | Zn3viii—Ni5—Ni5xviii | 167.10 (17) |
Zn3ix—Ni2—Zn5v | 140.6 (2) | Ni3viii—Ni5—Ni5xviii | 167.10 (17) |
Ni3ix—Ni2—Zn5v | 140.6 (2) | Zn5xviii—Ni5—Ni5xviii | 0.0 |
Zn5iv—Ni2—Zn5v | 107.29 (13) | Zn3xvii—Ni5—Zn5v | 167.10 (17) |
Ni5iv—Ni2—Zn5v | 107.29 (13) | Ni3xvii—Ni5—Zn5v | 167.10 (17) |
Zn2vi—Ni2—Ni5v | 111.57 (12) | Zn3viii—Ni5—Zn5v | 59.90 (5) |
Ni2vi—Ni2—Ni5v | 111.57 (12) | Ni3viii—Ni5—Zn5v | 59.90 (5) |
Zn3vii—Ni2—Ni5v | 56.28 (4) | Zn5xviii—Ni5—Zn5v | 117.80 (6) |
Ni3vii—Ni2—Ni5v | 56.28 (4) | Ni5xviii—Ni5—Zn5v | 117.80 (6) |
Zn3viii—Ni2—Ni5v | 56.28 (4) | Zn3xvii—Ni5—Ni5v | 167.10 (17) |
Ni3viii—Ni2—Ni5v | 56.28 (4) | Ni3xvii—Ni5—Ni5v | 167.10 (17) |
Zn3ix—Ni2—Ni5v | 140.6 (2) | Zn3viii—Ni5—Ni5v | 59.90 (5) |
Ni3ix—Ni2—Ni5v | 140.6 (2) | Ni3viii—Ni5—Ni5v | 59.90 (5) |
Zn5iv—Ni2—Ni5v | 107.3 | Zn5xviii—Ni5—Ni5v | 117.8 |
Ni5iv—Ni2—Ni5v | 107.29 (13) | Ni5xviii—Ni5—Ni5v | 117.80 (6) |
Zn5v—Ni2—Ni5v | 0.0 | Zn5v—Ni5—Ni5v | 0.0 |
Zn4x—Ni3—Zn4xi | 180.0 | Zn3xvii—Ni5—Zn4xv | 129.55 (11) |
Zn4x—Ni3—Ni4x | 0.0 | Ni3xvii—Ni5—Zn4xv | 129.55 (11) |
Zn4xi—Ni3—Ni4x | 180.0 | Zn3viii—Ni5—Zn4xv | 58.01 (4) |
Zn4x—Ni3—Ni4xi | 180.0 | Ni3viii—Ni5—Zn4xv | 58.01 (4) |
Zn4xi—Ni3—Ni4xi | 0.0 | Zn5xviii—Ni5—Zn4xv | 133.72 (14) |
Ni4x—Ni3—Ni4xi | 180.0 | Ni5xviii—Ni5—Zn4xv | 133.72 (14) |
Zn4x—Ni3—Zn4xii | 117.75 (6) | Zn5v—Ni5—Zn4xv | 62.12 (9) |
Zn4xi—Ni3—Zn4xii | 62.25 (6) | Ni5v—Ni5—Zn4xv | 62.12 (9) |
Ni4x—Ni3—Zn4xii | 117.75 (6) | Zn3xvii—Ni5—Ni4xv | 129.55 (11) |
Ni4xi—Ni3—Zn4xii | 62.25 (6) | Ni3xvii—Ni5—Ni4xv | 129.55 (11) |
Zn4x—Ni3—Zn4ii | 62.25 (6) | Zn3viii—Ni5—Ni4xv | 58.01 (4) |
Zn4xi—Ni3—Zn4ii | 117.75 (6) | Ni3viii—Ni5—Ni4xv | 58.01 (4) |
Ni4x—Ni3—Zn4ii | 62.25 (6) | Zn5xviii—Ni5—Ni4xv | 133.72 (14) |
Ni4xi—Ni3—Zn4ii | 117.75 (6) | Ni5xviii—Ni5—Ni4xv | 133.72 (14) |
Zn4xii—Ni3—Zn4ii | 180.0 | Zn5v—Ni5—Ni4xv | 62.12 (9) |
Zn4x—Ni3—Ni4xii | 117.7 | Ni5v—Ni5—Ni4xv | 62.12 (9) |
Zn4xi—Ni3—Ni4xii | 62.3 | Zn4xv—Ni5—Ni4xv | 0.0 |
Ni4x—Ni3—Ni4xii | 117.75 (6) | Zn3xvii—Ni5—Zn4xix | 58.01 (4) |
Ni4xi—Ni3—Ni4xii | 62.25 (6) | Ni3xvii—Ni5—Zn4xix | 58.01 (4) |
Zn4xii—Ni3—Ni4xii | 0.0 | Zn3viii—Ni5—Zn4xix | 129.55 (11) |
Zn4ii—Ni3—Ni4xii | 180.0 | Ni3viii—Ni5—Zn4xix | 129.55 (11) |
Zn4x—Ni3—Ni4ii | 62.3 | Zn5xviii—Ni5—Zn4xix | 62.12 (9) |
Zn4xi—Ni3—Ni4ii | 117.7 | Ni5xviii—Ni5—Zn4xix | 62.12 (9) |
Ni4x—Ni3—Ni4ii | 62.25 (6) | Zn5v—Ni5—Zn4xix | 133.72 (14) |
Ni4xi—Ni3—Ni4ii | 117.75 (6) | Ni5v—Ni5—Zn4xix | 133.72 (14) |
Zn4xii—Ni3—Ni4ii | 180.0 | Zn4xv—Ni5—Zn4xix | 85.16 (11) |
Zn4ii—Ni3—Ni4ii | 0.0 | Ni4xv—Ni5—Zn4xix | 85.16 (11) |
Ni4xii—Ni3—Ni4ii | 180.0 | Zn3xvii—Ni5—Ni4xix | 58.01 (4) |
Zn4x—Ni3—Zn5xii | 117.10 (8) | Ni3xvii—Ni5—Ni4xix | 58.01 (4) |
Zn4xi—Ni3—Zn5xii | 62.90 (8) | Zn3viii—Ni5—Ni4xix | 129.55 (11) |
Ni4x—Ni3—Zn5xii | 117.10 (8) | Ni3viii—Ni5—Ni4xix | 129.55 (11) |
Ni4xi—Ni3—Zn5xii | 62.90 (8) | Zn5xviii—Ni5—Ni4xix | 62.12 (9) |
Zn4xii—Ni3—Zn5xii | 116.04 (6) | Ni5xviii—Ni5—Ni4xix | 62.12 (9) |
Zn4ii—Ni3—Zn5xii | 63.96 (6) | Zn5v—Ni5—Ni4xix | 133.72 (14) |
Ni4xii—Ni3—Zn5xii | 116.04 (6) | Ni5v—Ni5—Ni4xix | 133.72 (14) |
Ni4ii—Ni3—Zn5xii | 63.96 (6) | Zn4xv—Ni5—Ni4xix | 85.2 |
Zn4x—Ni3—Zn5ii | 62.90 (8) | Ni4xv—Ni5—Ni4xix | 85.16 (11) |
Zn4xi—Ni3—Zn5ii | 117.10 (8) | Zn4xix—Ni5—Ni4xix | 0.0 |
Ni4x—Ni3—Zn5ii | 62.90 (8) | | |
Symmetry codes: (i) x−y−1/3, x−2/3, −z+1/3; (ii) −x+y+2/3, −x+1/3, z+1/3; (iii) −y−1/3, x−y−2/3, z+1/3; (iv) −x+2/3, −y+1/3, −z+1/3; (v) y−1/3, −x+y+1/3, −z+1/3; (vi) −x, −y, −z; (vii) −x+y+1/3, −x+2/3, z−1/3; (viii) −y+1/3, x−y−1/3, z−1/3; (ix) x−2/3, y−1/3, z−1/3; (x) y+2/3, −x+y+1/3, −z+1/3; (xi) −y+1/3, x−y−1/3, z+2/3; (xii) x−y+1/3, x−1/3, −z+2/3; (xiii) −x+y+2/3, −x+1/3, z−2/3; (xiv) y, −x+y, −z; (xv) x−y, x, −z; (xvi) −y+1, x−y, z; (xvii) x+1/3, y+2/3, z−1/3; (xviii) x−y+2/3, x+1/3, −z+1/3; (xix) −x+y+1, −x+1, z. |
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