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The crystal structure of new Mg9Ni6Ga14 and Mg3Ni2Ga compounds were investigated by single-crystal diffraction. Both structures can be described as three-core-shell cluster compounds. In the Mg6Ni9Ga14 structure, the [Ni6Ga6] icosahedron is encapsulated within the [Mg20] dodecahedron, which is again encapsulated within a [Ni18Ga42] fullerene-like truncated icosahedron, thus the three core–shell cluster [Ni6Ga6@Mg20@Ni18Ga42] results. In the Mg3Ni2Ga structure, the [Mg6] octahedron is encapsulated within the [Ni12Ga6] flattened icosahedron in vertices of which there are 12 nickel atoms, and six lateral edges are centered by gallium atoms, which in turn is encapsulated within a [Mg36] pseudo-rhombicuboctahedron with 12 additional atoms centering the lateral faces; thus for Mg3Ni2Ga the three-shell cluster is [Mg6@Ni12Ga6@Mg36].

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S2052520620006423/ra5078sup1.cif
Contains datablocks Mg9Ni6Ga14, Mg3Ni2Ga

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2052520620006423/ra5078Mg9Ni6Ga14sup2.hkl
Contains datablock Mg9Ni6Ga14

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2052520620006423/ra5078Mg3Ni2Gasup3.hkl
Contains datablock Mg3Ni2Ga

CCDC references: 2003807; 2003808

Computing details top

For both structures, data collection: APEX2 (Bruker, 2004); cell refinement: SAINT (Bruker, 2004); data reduction: SAINT (Bruker, 2004); program(s) used to solve structure: SHELXTL (Sheldrick, 2014); program(s) used to refine structure: SHELXTL (Sheldrick, 2014); molecular graphics: Diamond (Brandenburg, 1999); software used to prepare material for publication: SHELX97 (Sheldrick, 1997).

(Mg9Ni6Ga14) top
Crystal data top
Ga105.30Mg69.48Ni48Mo Kα radiation, λ = 0.71073 Å
Mr = 11847.42Cell parameters from 606 reflections
Cubic, Fd3mθ = 1.8–34.2°
a = 19.8621 (6) ŵ = 23.63 mm1
V = 7835.7 (7) Å3T = 296 K
Z = 2Prism, metallic grey
F(000) = 10883.90.06 × 0.05 × 0.03 mm
Dx = 5.021 Mg m3
Data collection top
Bruker Kappa APEXII CCD area-detector
diffractometer
828 independent reflections
Radiation source: fine-focus sealed tube606 reflections with I > 2σ(I)
Detector resolution: 25 pixels mm-1Rint = 0.068
φ scansθmax = 34.2°, θmin = 1.8°
Absorption correction: multi-scan
(SADABS; Bruker, 2004)
h = 3123
Tmin = 0.264, Tmax = 0.515k = 3126
30711 measured reflectionsl = 3131
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.030 w = 1/[σ2(Fo2) + (0.0364P)2 + 96.2159P]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.078(Δ/σ)max < 0.001
S = 1.06Δρmax = 1.47 e Å3
828 reflectionsΔρmin = 1.22 e Å3
37 parametersExtinction correction: SHELXL-2014/7 (Sheldrick 2014, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
0 restraintsExtinction coefficient: 0.000013 (5)
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)
Ga10.07835 (2)0.07835 (2)0.26831 (3)0.01602 (16)
Ga20.08029 (2)0.08029 (2)0.48703 (3)0.01686 (16)
Ga30.03942 (6)0.03942 (6)0.03942 (6)0.0300 (6)0.581 (5)
Ni10.03975 (2)0.03975 (2)0.37919 (3)0.01254 (15)
Mg10.31561 (7)0.31561 (7)0.12987 (9)0.0201 (4)
Mg20.28003 (9)0.28003 (9)0.28003 (9)0.0158 (6)
Mg30.37500.37500.37500.0136 (11)
Mg40.12500.12500.12500.016 (5)0.37 (3)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ga10.0167 (2)0.0167 (2)0.0147 (3)0.0038 (2)0.00076 (13)0.00076 (13)
Ga20.0190 (2)0.0190 (2)0.0126 (3)0.0016 (2)0.00333 (14)0.00333 (14)
Ga30.0300 (6)0.0300 (6)0.0300 (6)0.0000 (5)0.0000 (5)0.0000 (5)
Ni10.0144 (2)0.0144 (2)0.0088 (3)0.0071 (2)0.00001 (15)0.00001 (15)
Mg10.0216 (5)0.0216 (5)0.0170 (9)0.0009 (7)0.0017 (5)0.0017 (5)
Mg20.0158 (6)0.0158 (6)0.0158 (6)0.0001 (6)0.0001 (6)0.0001 (6)
Mg30.0136 (11)0.0136 (11)0.0136 (11)0.0000.0000.000
Mg40.016 (5)0.016 (5)0.016 (5)0.0000.0000.000
Geometric parameters (Å, º) top
Ga1—Ni12.4547 (8)Mg1—Ga2xvi2.9818 (17)
Ga1—Ga1i2.6209 (11)Mg1—Ga2xvii2.9818 (17)
Ga1—Ga1ii2.7150 (9)Mg1—Ga1xvi3.0676 (17)
Ga1—Ga1iii2.7150 (9)Mg1—Ga1xvii3.0676 (17)
Ga1—Ga3iv2.9683 (10)Mg1—Ga1xix3.1219 (18)
Ga1—Ga3v2.9683 (10)Mg1—Ga1xviii3.1219 (18)
Ga1—Mg2i3.053 (3)Mg1—Mg23.145 (2)
Ga1—Mg1vi3.0676 (17)Mg1—Mg1xx3.1702 (18)
Ga1—Mg1vii3.0676 (17)Mg2—Ni1xix2.7786 (8)
Ga1—Mg1viii3.1219 (18)Mg2—Ni1i2.7786 (8)
Ga1—Mg1ix3.1219 (18)Mg2—Ni1xviii2.7786 (8)
Ga1—Mg43.1336 (5)Mg2—Ga1i3.053 (3)
Ga2—Ni12.4258 (8)Mg2—Ga1xix3.053 (3)
Ga2—Ga2i2.5116 (11)Mg2—Ga1xviii3.053 (3)
Ga2—Ni1x2.5720 (6)Mg2—Ga2xvi3.0697 (17)
Ga2—Ni1xi2.5720 (6)Mg2—Ga2xvii3.0697 (17)
Ga2—Ga2xii2.6197 (9)Mg2—Ga2xxi3.0697 (17)
Ga2—Ga2xiii2.6197 (9)Mg2—Ga2xxii3.0697 (17)
Ga2—Mg1vii2.9817 (17)Mg2—Ga2xxiii3.0697 (17)
Ga2—Mg1vi2.9817 (17)Mg2—Ga2xxiv3.0697 (17)
Ga2—Mg3xiv3.0144 (6)Mg3—Ga2xxv3.0144 (6)
Ga2—Mg2vi3.0697 (17)Mg3—Ga2xxvi3.0144 (6)
Ga2—Mg2vii3.0697 (17)Mg3—Ga2xiv3.0144 (6)
Ga3—Ga3xv2.712 (4)Mg3—Ga2xxiv3.0144 (6)
Ga3—Mg42.944 (2)Mg3—Ga2xvii3.0144 (6)
Ga3—Ga1v2.9683 (10)Mg3—Ga2xvi3.0144 (6)
Ga3—Ga1ix2.9683 (10)Mg3—Ga2xxiii3.0144 (6)
Ga3—Ga1iv2.9683 (10)Mg3—Ga2xxii3.0144 (6)
Ga3—Ga1iii2.9683 (10)Mg3—Ga2xxi3.0144 (6)
Ga3—Ga1ii2.9683 (10)Mg3—Ga2xxvii3.0144 (6)
Ga3—Ga1viii2.9683 (10)Mg3—Ga2xxviii3.0144 (6)
Ni1—Ga2x2.5721 (6)Mg3—Ga2xxix3.0144 (6)
Ni1—Ga2xi2.5721 (6)Mg4—Ga3iv2.944 (2)
Ni1—Ni1x2.7709 (7)Mg4—Ga3v2.944 (2)
Ni1—Ni1xi2.7709 (7)Mg4—Ga3i2.944 (2)
Ni1—Mg2i2.7787 (8)Mg4—Ga1i3.1336 (5)
Ni1—Mg1vi2.9185 (12)Mg4—Ga1xviii3.1336 (5)
Ni1—Mg1vii2.9185 (12)Mg4—Ga1xix3.1336 (5)
Ni1—Mg1viii2.9194 (11)Mg4—Ga1iv3.1336 (5)
Ni1—Mg1ix2.9194 (11)Mg4—Ga1viii3.1336 (5)
Mg1—Ni1xvi2.9185 (12)Mg4—Ga1v3.1336 (5)
Mg1—Ni1xvii2.9185 (12)Mg4—Ga1ix3.1336 (5)
Mg1—Ni1xviii2.9194 (11)Mg4—Ga1ii3.1336 (5)
Mg1—Ni1xix2.9194 (11)
Ni1—Ga1—Ga1i116.210 (18)Ni1xviii—Mg1—Ga1xix92.01 (5)
Ni1—Ga1—Ga1ii114.430 (15)Ni1xix—Mg1—Ga1xix47.80 (3)
Ga1i—Ga1—Ga1ii120.0Ga2xvi—Mg1—Ga1xix96.23 (4)
Ni1—Ga1—Ga1iii114.430 (15)Ga2xvii—Mg1—Ga1xix118.34 (6)
Ga1i—Ga1—Ga1iii120.0Ga1xvi—Mg1—Ga1xix118.31 (3)
Ga1ii—Ga1—Ga1iii60.0Ga1xvii—Mg1—Ga1xix147.75 (7)
Ni1—Ga1—Ga3iv122.79 (4)Ni1xvi—Mg1—Ga1xviii148.19 (5)
Ga1i—Ga1—Ga3iv63.801 (13)Ni1xvii—Mg1—Ga1xviii97.83 (2)
Ga1ii—Ga1—Ga3iv110.64 (3)Ni1xviii—Mg1—Ga1xviii47.80 (3)
Ga1iii—Ga1—Ga3iv62.784 (14)Ni1xix—Mg1—Ga1xviii92.01 (5)
Ni1—Ga1—Ga3v122.79 (4)Ga2xvi—Mg1—Ga1xviii118.34 (6)
Ga1i—Ga1—Ga3v63.801 (13)Ga2xvii—Mg1—Ga1xviii96.23 (4)
Ga1ii—Ga1—Ga3v62.784 (14)Ga1xvi—Mg1—Ga1xviii147.75 (7)
Ga1iii—Ga1—Ga3v110.64 (3)Ga1xvii—Mg1—Ga1xviii118.31 (3)
Ga3iv—Ga1—Ga3v108.16 (7)Ga1xix—Mg1—Ga1xviii51.55 (4)
Ni1—Ga1—Mg2i59.42 (3)Ni1xvi—Mg1—Mg2100.72 (5)
Ga1i—Ga1—Mg2i175.63 (3)Ni1xvii—Mg1—Mg2100.72 (5)
Ga1ii—Ga1—Mg2i63.60 (3)Ni1xviii—Mg1—Mg254.38 (3)
Ga1iii—Ga1—Mg2i63.60 (3)Ni1xix—Mg1—Mg254.38 (3)
Ga3iv—Ga1—Mg2i118.01 (2)Ga2xvi—Mg1—Mg260.06 (6)
Ga3v—Ga1—Mg2i118.01 (2)Ga2xvii—Mg1—Mg260.06 (6)
Ni1—Ga1—Mg1vi62.65 (3)Ga1xvi—Mg1—Mg2149.06 (5)
Ga1i—Ga1—Mg1vi64.711 (18)Ga1xvii—Mg1—Mg2149.06 (5)
Ga1ii—Ga1—Mg1vi175.05 (2)Ga1xix—Mg1—Mg258.30 (6)
Ga1iii—Ga1—Mg1vi116.90 (3)Ga1xviii—Mg1—Mg258.30 (6)
Ga3iv—Ga1—Mg1vi69.51 (5)Ni1xvi—Mg1—Mg1xx151.43 (10)
Ga3v—Ga1—Mg1vi122.07 (3)Ni1xvii—Mg1—Mg1xx57.12 (4)
Mg2i—Ga1—Mg1vi111.77 (3)Ni1xviii—Mg1—Mg1xx57.10 (4)
Ni1—Ga1—Mg1vii62.65 (3)Ni1xix—Mg1—Mg1xx149.81 (10)
Ga1i—Ga1—Mg1vii64.711 (18)Ga2xvi—Mg1—Mg1xx144.89 (2)
Ga1ii—Ga1—Mg1vii116.90 (3)Ga2xvii—Mg1—Mg1xx95.085 (19)
Ga1iii—Ga1—Mg1vii175.05 (2)Ga1xvi—Mg1—Mg1xx103.91 (7)
Ga3iv—Ga1—Mg1vii122.07 (3)Ga1xvii—Mg1—Mg1xx60.04 (5)
Ga3v—Ga1—Mg1vii69.51 (5)Ga1xix—Mg1—Mg1xx103.20 (7)
Mg2i—Ga1—Mg1vii111.77 (3)Ga1xviii—Mg1—Mg1xx58.35 (5)
Mg1vi—Ga1—Mg1vii65.89 (7)Mg2—Mg1—Mg1xx106.71 (7)
Ni1—Ga1—Mg1viii61.77 (3)Ni1xix—Mg2—Ni1i117.28 (3)
Ga1i—Ga1—Mg1viii117.36 (3)Ni1xix—Mg2—Ni1xviii117.28 (3)
Ga1ii—Ga1—Mg1viii64.225 (18)Ni1i—Mg2—Ni1xviii117.28 (3)
Ga1iii—Ga1—Mg1viii113.62 (2)Ni1xix—Mg2—Ga1i96.32 (7)
Ga3iv—Ga1—Mg1viii174.78 (4)Ni1i—Mg2—Ga1i49.51 (4)
Ga3v—Ga1—Mg1viii69.05 (4)Ni1xviii—Mg2—Ga1i96.32 (7)
Mg2i—Ga1—Mg1viii61.23 (3)Ni1xix—Mg2—Ga1xix49.51 (4)
Mg1vi—Ga1—Mg1viii115.69 (5)Ni1i—Mg2—Ga1xix96.32 (7)
Mg1vii—Ga1—Mg1viii61.61 (3)Ni1xviii—Mg2—Ga1xix96.32 (7)
Ni1—Ga1—Mg1ix61.77 (3)Ga1i—Mg2—Ga1xix52.80 (5)
Ga1i—Ga1—Mg1ix117.36 (3)Ni1xix—Mg2—Ga1xviii96.32 (7)
Ga1ii—Ga1—Mg1ix113.62 (2)Ni1i—Mg2—Ga1xviii96.32 (7)
Ga1iii—Ga1—Mg1ix64.225 (18)Ni1xviii—Mg2—Ga1xviii49.51 (4)
Ga3iv—Ga1—Mg1ix69.05 (4)Ga1i—Mg2—Ga1xviii52.80 (5)
Ga3v—Ga1—Mg1ix174.78 (4)Ga1xix—Mg2—Ga1xviii52.80 (5)
Mg2i—Ga1—Mg1ix61.23 (3)Ni1xix—Mg2—Ga2xvi51.89 (2)
Mg1vi—Ga1—Mg1ix61.61 (3)Ni1i—Mg2—Ga2xvi144.12 (7)
Mg1vii—Ga1—Mg1ix115.69 (5)Ni1xviii—Mg2—Ga2xvi94.68 (3)
Mg1viii—Ga1—Mg1ix113.35 (7)Ga1i—Mg2—Ga2xvi147.70 (6)
Ni1—Ga1—Mg4178.51 (3)Ga1xix—Mg2—Ga2xvi95.86 (2)
Ga1i—Ga1—Mg465.280 (10)Ga1xviii—Mg2—Ga2xvi117.77 (3)
Ga1ii—Ga1—Mg464.328 (8)Ni1xix—Mg2—Ga2xvii94.68 (3)
Ga1iii—Ga1—Mg464.328 (8)Ni1i—Mg2—Ga2xvii144.12 (7)
Ga3iv—Ga1—Mg457.62 (4)Ni1xviii—Mg2—Ga2xvii51.89 (2)
Ga3v—Ga1—Mg457.62 (4)Ga1i—Mg2—Ga2xvii147.70 (6)
Mg2i—Ga1—Mg4119.09 (3)Ga1xix—Mg2—Ga2xvii117.77 (3)
Mg1vi—Ga1—Mg4118.52 (3)Ga1xviii—Mg2—Ga2xvii95.86 (2)
Mg1vii—Ga1—Mg4118.52 (3)Ga2xvi—Mg2—Ga2xvii48.30 (3)
Mg1viii—Ga1—Mg4117.74 (3)Ni1xix—Mg2—Ga2xxi144.12 (7)
Mg1ix—Ga1—Mg4117.74 (3)Ni1i—Mg2—Ga2xxi51.89 (2)
Ni1—Ga2—Ga2i117.999 (19)Ni1xviii—Mg2—Ga2xxi94.68 (3)
Ni1—Ga2—Ni1x67.267 (15)Ga1i—Mg2—Ga2xxi95.86 (2)
Ga2i—Ga2—Ni1x115.737 (16)Ga1xix—Mg2—Ga2xxi147.70 (6)
Ni1—Ga2—Ni1xi67.268 (15)Ga1xviii—Mg2—Ga2xxi117.77 (3)
Ga2i—Ga2—Ni1xi115.737 (16)Ga2xvi—Mg2—Ga2xxi113.40 (10)
Ni1x—Ga2—Ni1xi122.50 (3)Ga2xvii—Mg2—Ga2xxi92.75 (7)
Ni1—Ga2—Ga2xii112.932 (16)Ni1xix—Mg2—Ga2xxii144.12 (7)
Ga2i—Ga2—Ga2xii120.000 (1)Ni1i—Mg2—Ga2xxii94.68 (3)
Ni1x—Ga2—Ga2xii59.385 (13)Ni1xviii—Mg2—Ga2xxii51.89 (2)
Ni1xi—Ga2—Ga2xii111.559 (14)Ga1i—Mg2—Ga2xxii117.77 (3)
Ni1—Ga2—Ga2xiii112.931 (16)Ga1xix—Mg2—Ga2xxii147.70 (6)
Ga2i—Ga2—Ga2xiii120.000 (1)Ga1xviii—Mg2—Ga2xxii95.86 (2)
Ni1x—Ga2—Ga2xiii111.559 (14)Ga2xvi—Mg2—Ga2xxii92.75 (7)
Ni1xi—Ga2—Ga2xiii59.385 (13)Ga2xvii—Mg2—Ga2xxii50.52 (4)
Ga2xii—Ga2—Ga2xiii59.999 (1)Ga2xxi—Mg2—Ga2xxii48.30 (3)
Ni1—Ga2—Mg1vii64.37 (3)Ni1xix—Mg2—Ga2xxiii51.89 (2)
Ga2i—Ga2—Mg1vii65.093 (19)Ni1i—Mg2—Ga2xxiii94.68 (3)
Ni1x—Ga2—Mg1vii121.72 (4)Ni1xviii—Mg2—Ga2xxiii144.12 (7)
Ni1xi—Ga2—Mg1vii62.92 (3)Ga1i—Mg2—Ga2xxiii117.77 (3)
Ga2xii—Ga2—Mg1vii174.32 (2)Ga1xix—Mg2—Ga2xxiii95.86 (2)
Ga2xiii—Ga2—Mg1vii115.82 (4)Ga1xviii—Mg2—Ga2xxiii147.70 (6)
Ni1—Ga2—Mg1vi64.37 (3)Ga2xvi—Mg2—Ga2xxiii50.52 (4)
Ga2i—Ga2—Mg1vi65.093 (19)Ga2xvii—Mg2—Ga2xxiii92.75 (7)
Ni1x—Ga2—Mg1vi62.92 (3)Ga2xxi—Mg2—Ga2xxiii92.75 (7)
Ni1xi—Ga2—Mg1vi121.72 (4)Ga2xxii—Mg2—Ga2xxiii113.40 (10)
Ga2xii—Ga2—Mg1vi115.82 (4)Ni1xix—Mg2—Ga2xxiv94.68 (3)
Ga2xiii—Ga2—Mg1vi174.32 (2)Ni1i—Mg2—Ga2xxiv51.89 (2)
Mg1vii—Ga2—Mg1vi68.05 (7)Ni1xviii—Mg2—Ga2xxiv144.12 (7)
Ni1—Ga2—Mg3xiv176.62 (3)Ga1i—Mg2—Ga2xxiv95.86 (2)
Ga2i—Ga2—Mg3xiv65.380 (10)Ga1xix—Mg2—Ga2xxiv117.77 (3)
Ni1x—Ga2—Mg3xiv111.647 (15)Ga1xviii—Mg2—Ga2xxiv147.70 (6)
Ni1xi—Ga2—Mg3xiv111.647 (15)Ga2xvi—Mg2—Ga2xxiv92.75 (7)
Ga2xii—Ga2—Mg3xiv64.245 (9)Ga2xvii—Mg2—Ga2xxiv113.40 (10)
Ga2xiii—Ga2—Mg3xiv64.245 (9)Ga2xxi—Mg2—Ga2xxiv50.52 (4)
Mg1vii—Ga2—Mg3xiv118.26 (3)Ga2xxii—Mg2—Ga2xxiv92.75 (7)
Mg1vi—Ga2—Mg3xiv118.26 (3)Ga2xxiii—Mg2—Ga2xxiv48.30 (3)
Ni1—Ga2—Mg2vi115.96 (5)Ga2xxv—Mg3—Ga2xxvi51.509 (17)
Ga2i—Ga2—Mg2vi65.852 (17)Ga2xxv—Mg3—Ga2xiv51.509 (17)
Ni1x—Ga2—Mg2vi58.21 (4)Ga2xxvi—Mg3—Ga2xiv51.509 (17)
Ni1xi—Ga2—Mg2vi175.64 (4)Ga2xxv—Mg3—Ga2xxiv145.735 (14)
Ga2xii—Ga2—Mg2vi64.741 (18)Ga2xxvi—Mg3—Ga2xxiv116.668 (6)
Ga2xiii—Ga2—Mg2vi116.25 (4)Ga2xiv—Mg3—Ga2xxiv94.978 (4)
Mg1vii—Ga2—Mg2vi120.84 (4)Ga2xxv—Mg3—Ga2xvii94.978 (4)
Mg1vi—Ga2—Mg2vi62.62 (5)Ga2xxvi—Mg3—Ga2xvii116.668 (6)
Mg3xiv—Ga2—Mg2vi64.95 (5)Ga2xiv—Mg3—Ga2xvii145.735 (14)
Ni1—Ga2—Mg2vii115.96 (5)Ga2xxiv—Mg3—Ga2xvii116.668 (6)
Ga2i—Ga2—Mg2vii65.852 (17)Ga2xxv—Mg3—Ga2xvi116.668 (6)
Ni1x—Ga2—Mg2vii175.64 (4)Ga2xxvi—Mg3—Ga2xvi94.978 (4)
Ni1xi—Ga2—Mg2vii58.21 (4)Ga2xiv—Mg3—Ga2xvi145.735 (14)
Ga2xii—Ga2—Mg2vii116.25 (4)Ga2xxiv—Mg3—Ga2xvi94.978 (4)
Ga2xiii—Ga2—Mg2vii64.741 (18)Ga2xvii—Mg3—Ga2xvi49.24 (2)
Mg1vii—Ga2—Mg2vii62.62 (5)Ga2xxv—Mg3—Ga2xxiii145.735 (14)
Mg1vi—Ga2—Mg2vii120.84 (4)Ga2xxvi—Mg3—Ga2xxiii94.978 (4)
Mg3xiv—Ga2—Mg2vii64.95 (5)Ga2xiv—Mg3—Ga2xxiii116.668 (6)
Mg2vi—Ga2—Mg2vii120.69 (8)Ga2xxiv—Mg3—Ga2xxiii49.24 (2)
Ga3xv—Ga3—Mg4180.00 (19)Ga2xvii—Mg3—Ga2xxiii94.978 (4)
Ga3xv—Ga3—Ga1v115.99 (4)Ga2xvi—Mg3—Ga2xxiii51.509 (17)
Mg4—Ga3—Ga1v64.01 (4)Ga2xxv—Mg3—Ga2xxii94.978 (4)
Ga3xv—Ga3—Ga1ix115.99 (4)Ga2xxvi—Mg3—Ga2xxii145.735 (14)
Mg4—Ga3—Ga1ix64.01 (4)Ga2xiv—Mg3—Ga2xxii116.668 (6)
Ga1v—Ga3—Ga1ix54.43 (3)Ga2xxiv—Mg3—Ga2xxii94.978 (4)
Ga3xv—Ga3—Ga1iv115.99 (4)Ga2xvii—Mg3—Ga2xxii51.509 (17)
Mg4—Ga3—Ga1iv64.01 (4)Ga2xvi—Mg3—Ga2xxii94.978 (4)
Ga1v—Ga3—Ga1iv52.40 (3)Ga2xxiii—Mg3—Ga2xxii116.668 (6)
Ga1ix—Ga3—Ga1iv102.24 (5)Ga2xxv—Mg3—Ga2xxi116.668 (6)
Ga3xv—Ga3—Ga1iii115.99 (4)Ga2xxvi—Mg3—Ga2xxi145.735 (14)
Mg4—Ga3—Ga1iii64.01 (4)Ga2xiv—Mg3—Ga2xxi94.978 (4)
Ga1v—Ga3—Ga1iii128.01 (8)Ga2xxiv—Mg3—Ga2xxi51.509 (17)
Ga1ix—Ga3—Ga1iii102.24 (5)Ga2xvii—Mg3—Ga2xxi94.978 (4)
Ga1iv—Ga3—Ga1iii102.24 (5)Ga2xvi—Mg3—Ga2xxi116.668 (6)
Ga3xv—Ga3—Ga1ii115.99 (4)Ga2xxiii—Mg3—Ga2xxi94.978 (4)
Mg4—Ga3—Ga1ii64.01 (4)Ga2xxii—Mg3—Ga2xxi49.24 (2)
Ga1v—Ga3—Ga1ii102.24 (5)Ga2xxv—Mg3—Ga2xxvii94.978 (4)
Ga1ix—Ga3—Ga1ii52.40 (3)Ga2xxvi—Mg3—Ga2xxvii94.978 (4)
Ga1iv—Ga3—Ga1ii128.01 (8)Ga2xiv—Mg3—Ga2xxvii49.24 (2)
Ga1iii—Ga3—Ga1ii54.43 (3)Ga2xxiv—Mg3—Ga2xxvii51.509 (17)
Ga3xv—Ga3—Ga1viii115.99 (4)Ga2xvii—Mg3—Ga2xxvii145.735 (14)
Mg4—Ga3—Ga1viii64.01 (4)Ga2xvi—Mg3—Ga2xxvii145.735 (14)
Ga1v—Ga3—Ga1viii102.24 (5)Ga2xxiii—Mg3—Ga2xxvii94.978 (4)
Ga1ix—Ga3—Ga1viii128.01 (8)Ga2xxii—Mg3—Ga2xxvii94.978 (4)
Ga1iv—Ga3—Ga1viii54.43 (3)Ga2xxi—Mg3—Ga2xxvii51.509 (17)
Ga1iii—Ga3—Ga1viii52.40 (3)Ga2xxv—Mg3—Ga2xxviii94.978 (4)
Ga1ii—Ga3—Ga1viii102.24 (5)Ga2xxvi—Mg3—Ga2xxviii49.24 (2)
Ga2—Ni1—Ga1125.79 (3)Ga2xiv—Mg3—Ga2xxviii94.978 (4)
Ga2—Ni1—Ga2x95.75 (3)Ga2xxiv—Mg3—Ga2xxviii94.978 (4)
Ga1—Ni1—Ga2x129.40 (2)Ga2xvii—Mg3—Ga2xxviii94.978 (4)
Ga2—Ni1—Ga2xi95.75 (3)Ga2xvi—Mg3—Ga2xxviii51.509 (17)
Ga1—Ni1—Ga2xi129.40 (2)Ga2xxiii—Mg3—Ga2xxviii51.509 (17)
Ga2x—Ni1—Ga2xi61.23 (3)Ga2xxii—Mg3—Ga2xxviii145.735 (14)
Ga2—Ni1—Ni1x58.885 (18)Ga2xxi—Mg3—Ga2xxviii145.735 (14)
Ga1—Ni1—Ni1x121.186 (6)Ga2xxvii—Mg3—Ga2xxviii116.668 (6)
Ga2x—Ni1—Ni1x53.850 (16)Ga2xxv—Mg3—Ga2xxix49.24 (2)
Ga2xi—Ni1—Ni1x103.826 (17)Ga2xxvi—Mg3—Ga2xxix94.978 (4)
Ga2—Ni1—Ni1xi58.885 (17)Ga2xiv—Mg3—Ga2xxix94.978 (4)
Ga1—Ni1—Ni1xi121.186 (6)Ga2xxiv—Mg3—Ga2xxix145.735 (14)
Ga2x—Ni1—Ni1xi103.826 (17)Ga2xvii—Mg3—Ga2xxix51.509 (17)
Ga2xi—Ni1—Ni1xi53.850 (16)Ga2xvi—Mg3—Ga2xxix94.978 (4)
Ni1x—Ni1—Ni1xi108.94 (2)Ga2xxiii—Mg3—Ga2xxix145.735 (14)
Ga2—Ni1—Mg2i163.14 (7)Ga2xxii—Mg3—Ga2xxix51.509 (17)
Ga1—Ni1—Mg2i71.07 (6)Ga2xxi—Mg3—Ga2xxix94.978 (4)
Ga2x—Ni1—Mg2i69.89 (6)Ga2xxvii—Mg3—Ga2xxix116.668 (6)
Ga2xi—Ni1—Mg2i69.89 (6)Ga2xxviii—Mg3—Ga2xxix116.668 (6)
Ni1x—Ni1—Mg2i114.67 (4)Ga3—Mg4—Ga3iv109.5
Ni1xi—Ni1—Mg2i114.67 (4)Ga3—Mg4—Ga3v109.5
Ga2—Ni1—Mg1vi67.09 (4)Ga3iv—Mg4—Ga3v109.5
Ga1—Ni1—Mg1vi69.01 (4)Ga3—Mg4—Ga3i109.5
Ga2x—Ni1—Mg1vi111.42 (3)Ga3iv—Mg4—Ga3i109.5
Ga2xi—Ni1—Mg1vi161.35 (4)Ga3v—Mg4—Ga3i109.5
Ni1x—Ni1—Mg1vi61.68 (4)Ga3—Mg4—Ga1i149.985 (10)
Ni1xi—Ni1—Mg1vi117.13 (4)Ga3iv—Mg4—Ga1i58.370 (3)
Mg2i—Ni1—Mg1vi125.59 (6)Ga3v—Mg4—Ga1i58.370 (3)
Ga2—Ni1—Mg1vii67.09 (4)Ga3i—Mg4—Ga1i100.543 (10)
Ga1—Ni1—Mg1vii69.01 (4)Ga3—Mg4—Ga1xviii149.985 (10)
Ga2x—Ni1—Mg1vii161.35 (4)Ga3iv—Mg4—Ga1xviii58.370 (3)
Ga2xi—Ni1—Mg1vii111.42 (3)Ga3v—Mg4—Ga1xviii100.543 (10)
Ni1x—Ni1—Mg1vii117.13 (4)Ga3i—Mg4—Ga1xviii58.370 (3)
Ni1xi—Ni1—Mg1vii61.68 (4)Ga1i—Mg4—Ga1xviii51.342 (16)
Mg2i—Ni1—Mg1vii125.59 (6)Ga3—Mg4—Ga1xix149.985 (10)
Mg1vi—Ni1—Mg1vii69.73 (7)Ga3iv—Mg4—Ga1xix100.543 (10)
Ga2—Ni1—Mg1viii116.00 (3)Ga3v—Mg4—Ga1xix58.370 (3)
Ga1—Ni1—Mg1viii70.42 (4)Ga3i—Mg4—Ga1xix58.370 (3)
Ga2x—Ni1—Mg1viii119.61 (4)Ga1i—Mg4—Ga1xix51.342 (16)
Ga2xi—Ni1—Mg1viii65.42 (4)Ga1xviii—Mg4—Ga1xix51.342 (16)
Ni1x—Ni1—Mg1viii168.38 (4)Ga3—Mg4—Ga1iv58.370 (3)
Ni1xi—Ni1—Mg1viii61.65 (4)Ga3iv—Mg4—Ga1iv100.543 (10)
Mg2i—Ni1—Mg1viii66.96 (3)Ga3v—Mg4—Ga1iv149.985 (10)
Mg1vi—Ni1—Mg1viii127.69 (5)Ga3i—Mg4—Ga1iv58.370 (3)
Mg1vii—Ni1—Mg1viii65.78 (6)Ga1i—Mg4—Ga1iv145.600 (13)
Ga2—Ni1—Mg1ix116.00 (3)Ga1xviii—Mg4—Ga1iv95.017 (4)
Ga1—Ni1—Mg1ix70.42 (4)Ga1xix—Mg4—Ga1iv116.729 (6)
Ga2x—Ni1—Mg1ix65.42 (4)Ga3—Mg4—Ga1viii58.370 (3)
Ga2xi—Ni1—Mg1ix119.61 (4)Ga3iv—Mg4—Ga1viii58.370 (3)
Ni1x—Ni1—Mg1ix61.65 (4)Ga3v—Mg4—Ga1viii149.985 (10)
Ni1xi—Ni1—Mg1ix168.38 (4)Ga3i—Mg4—Ga1viii100.543 (10)
Mg2i—Ni1—Mg1ix66.96 (3)Ga1i—Mg4—Ga1viii116.729 (6)
Mg1vi—Ni1—Mg1ix65.78 (6)Ga1xviii—Mg4—Ga1viii95.017 (4)
Mg1vii—Ni1—Mg1ix127.69 (5)Ga1xix—Mg4—Ga1viii145.600 (13)
Mg1viii—Ni1—Mg1ix126.64 (7)Ga1iv—Mg4—Ga1viii51.342 (16)
Ni1xvi—Mg1—Ni1xvii110.27 (6)Ga3—Mg4—Ga1v58.370 (3)
Ni1xvi—Mg1—Ni1xviii141.65 (7)Ga3iv—Mg4—Ga1v149.985 (10)
Ni1xvii—Mg1—Ni1xviii56.67 (2)Ga3v—Mg4—Ga1v100.543 (10)
Ni1xvi—Mg1—Ni1xix56.67 (2)Ga3i—Mg4—Ga1v58.370 (3)
Ni1xvii—Mg1—Ni1xix141.65 (7)Ga1i—Mg4—Ga1v145.600 (13)
Ni1xviii—Mg1—Ni1xix108.73 (6)Ga1xviii—Mg4—Ga1v116.729 (6)
Ni1xvi—Mg1—Ga2xvi48.54 (3)Ga1xix—Mg4—Ga1v95.017 (4)
Ni1xvii—Mg1—Ga2xvi91.66 (5)Ga1iv—Mg4—Ga1v49.44 (2)
Ni1xviii—Mg1—Ga2xvi93.69 (5)Ga1viii—Mg4—Ga1v95.017 (4)
Ni1xix—Mg1—Ga2xvi51.67 (3)Ga3—Mg4—Ga1ix58.370 (3)
Ni1xvi—Mg1—Ga2xvii91.66 (5)Ga3iv—Mg4—Ga1ix149.985 (10)
Ni1xvii—Mg1—Ga2xvii48.54 (3)Ga3v—Mg4—Ga1ix58.370 (3)
Ni1xviii—Mg1—Ga2xvii51.67 (3)Ga3i—Mg4—Ga1ix100.543 (10)
Ni1xix—Mg1—Ga2xvii93.69 (5)Ga1i—Mg4—Ga1ix116.729 (6)
Ga2xvi—Mg1—Ga2xvii49.82 (4)Ga1xviii—Mg4—Ga1ix145.600 (13)
Ni1xvi—Mg1—Ga1xvi48.34 (3)Ga1xix—Mg4—Ga1ix95.017 (4)
Ni1xvii—Mg1—Ga1xvi92.08 (5)Ga1iv—Mg4—Ga1ix95.017 (4)
Ni1xviii—Mg1—Ga1xvi148.38 (5)Ga1viii—Mg4—Ga1ix116.729 (6)
Ni1xix—Mg1—Ga1xvi99.04 (2)Ga1v—Mg4—Ga1ix51.342 (16)
Ga2xvi—Mg1—Ga1xvi91.80 (4)Ga3—Mg4—Ga1ii58.370 (3)
Ga2xvii—Mg1—Ga1xvi113.03 (6)Ga3iv—Mg4—Ga1ii100.543 (10)
Ni1xvi—Mg1—Ga1xvii92.08 (5)Ga3v—Mg4—Ga1ii58.370 (3)
Ni1xvii—Mg1—Ga1xvii48.34 (3)Ga3i—Mg4—Ga1ii149.985 (10)
Ni1xviii—Mg1—Ga1xvii99.04 (2)Ga1i—Mg4—Ga1ii95.017 (4)
Ni1xix—Mg1—Ga1xvii148.38 (5)Ga1xviii—Mg4—Ga1ii145.600 (13)
Ga2xvi—Mg1—Ga1xvii113.03 (6)Ga1xix—Mg4—Ga1ii116.729 (6)
Ga2xvii—Mg1—Ga1xvii91.80 (4)Ga1iv—Mg4—Ga1ii116.729 (6)
Ga1xvi—Mg1—Ga1xvii50.58 (4)Ga1viii—Mg4—Ga1ii95.017 (4)
Ni1xvi—Mg1—Ga1xix97.83 (2)Ga1v—Mg4—Ga1ii95.017 (4)
Ni1xvii—Mg1—Ga1xix148.19 (5)Ga1ix—Mg4—Ga1ii49.44 (2)
Symmetry codes: (i) x+1/4, y+1/4, z; (ii) y, z+1/4, x+1/4; (iii) z+1/4, x, y+1/4; (iv) x, y+1/4, z+1/4; (v) x+1/4, y, z+1/4; (vi) x1/4, y+1/2, z+1/4; (vii) x+1/2, y1/4, z+1/4; (viii) z+1/4, x+1/4, y; (ix) y+1/4, z+1/4, x; (x) y, z+1/2, x+1/2; (xi) z+1/2, x, y+1/2; (xii) z1/2, x, y+1/2; (xiii) y, z1/2, x+1/2; (xiv) x+1/2, y+1/2, z+1; (xv) x, y, z; (xvi) x+1/2, y+1/4, z1/4; (xvii) x+1/4, y+1/2, z1/4; (xviii) y+1/4, z, x+1/4; (xix) z, x+1/4, y+1/4; (xx) y+1/2, z+1/4, x1/4; (xxi) z1/4, x+1/4, y+1/2; (xxii) z1/4, x+1/2, y+1/4; (xxiii) y+1/2, z1/4, x+1/4; (xxiv) y+1/4, z1/4, x+1/2; (xxv) y+1/2, z+1, x+1/2; (xxvi) z+1, x+1/2, y+1/2; (xxvii) x+1/4, y+1/4, z+1; (xxviii) z+1, x+1/4, y+1/4; (xxix) y+1/4, z+1, x+1/4.
(Mg3Ni2Ga) top
Crystal data top
Ga8Mg24Ni16Mo Kα radiation, λ = 0.71073 Å
Mr = 2080.24Cell parameters from 115 reflections
Cubic, Fd3mθ = 3.1–28.1°
a = 11.4886 (17) ŵ = 17.13 mm1
V = 1516.4 (7) Å3T = 293 K
Z = 2Prism, metallic grey
F(000) = 19680.07 × 0.05 × 0.04 mm
Dx = 4.556 Mg m3
Data collection top
Bruker Kappa APEXII CCD area-detector
diffractometer
115 independent reflections
Radiation source: fine-focus sealed tube108 reflections with I > 2σ(I)
Detector resolution: 25 pixels mm-1Rint = 0.071
φ scansθmax = 28.1°, θmin = 3.1°
Absorption correction: multi-scan
(SADABS; Bruker, 2004)
h = 1515
Tmin = 0.472, Tmax = 0.664k = 1515
10535 measured reflectionsl = 1515
Refinement top
Refinement on F210 parameters
Least-squares matrix: full0 restraints
R[F2 > 2σ(F2)] = 0.018 w = 1/[σ2(Fo2) + (0.0103P)2 + 28.3781P]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.043(Δ/σ)max < 0.001
S = 1.47Δρmax = 0.41 e Å3
115 reflectionsΔρmin = 0.79 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*/Ueq
Ga0.00000.00000.00000.0046 (3)
Ni0.20719 (5)0.20719 (5)0.20719 (5)0.0042 (2)
Mg0.42980 (17)0.12500.12500.0042 (4)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ga0.0046 (3)0.0046 (3)0.0046 (3)0.0005 (2)0.0005 (2)0.0005 (2)
Ni0.0042 (2)0.0042 (2)0.0042 (2)0.0004 (2)0.0004 (2)0.0004 (2)
Mg0.0046 (9)0.0041 (6)0.0041 (6)0.0000.0000.0002 (7)
Geometric parameters (Å, º) top
Ga—Nii2.4799 (5)Ni—Mgxi2.7446 (8)
Ga—Niii2.4799 (5)Ni—Mgxii2.7446 (8)
Ga—Niiii2.4799 (5)Ni—Mgxiii2.7446 (8)
Ga—Niiv2.4799 (5)Ni—Mgxiv2.8851 (18)
Ga—Niv2.4799 (5)Ni—Mgxv2.8851 (18)
Ga—Nivi2.4799 (5)Ni—Mg2.8851 (18)
Ga—Mgvii2.8968 (14)Mg—Nixvi2.7446 (8)
Ga—Mgii2.8968 (14)Mg—Nixvii2.7446 (8)
Ga—Mgiii2.8968 (14)Mg—Nivi2.8851 (18)
Ga—Mgviii2.8968 (14)Mg—Gaiv2.8968 (14)
Ga—Mgix2.8968 (14)Mg—Gaii2.8968 (14)
Ga—Mgx2.8968 (14)Mg—Mgxviii3.0070 (9)
Ni—Gavi2.4799 (5)Mg—Mgxix3.0070 (9)
Ni—Gaiv2.4799 (5)Mg—Mgxi3.0070 (9)
Ni—Gaii2.4799 (5)Mg—Mgxii3.0070 (9)
Ni—Nivi2.6708 (16)Mg—Mgxx3.172 (3)
Ni—Niiv2.6708 (16)Mg—Mgxxi3.172 (3)
Ni—Niii2.6708 (16)
Nii—Ga—Niii114.84 (3)Niii—Ni—Mgxiii114.56 (4)
Nii—Ga—Niiii65.16 (3)Mgxi—Ni—Mgxiii70.59 (7)
Niii—Ga—Niiii180.0Mgxii—Ni—Mgxiii70.59 (7)
Nii—Ga—Niiv114.84 (3)Gavi—Ni—Mgxiv64.847 (8)
Niii—Ga—Niiv65.16 (3)Gaiv—Ni—Mgxiv168.72 (4)
Niiii—Ga—Niiv114.84 (3)Gaii—Ni—Mgxiv64.847 (8)
Nii—Ga—Niv65.16 (3)Nivi—Ni—Mgxiv113.29 (2)
Niii—Ga—Niv114.84 (3)Niiv—Ni—Mgxiv62.43 (3)
Niiii—Ga—Niv65.16 (3)Niii—Ni—Mgxiv113.29 (2)
Niiv—Ga—Niv180.000 (17)Mgxi—Ni—Mgxiv64.514 (10)
Nii—Ga—Nivi180.00 (4)Mgxii—Ni—Mgxiv124.16 (7)
Niii—Ga—Nivi65.16 (3)Mgxiii—Ni—Mgxiv64.514 (10)
Niiii—Ga—Nivi114.84 (3)Gavi—Ni—Mgxv64.847 (8)
Niiv—Ga—Nivi65.16 (3)Gaiv—Ni—Mgxv64.847 (8)
Niv—Ga—Nivi114.84 (3)Gaii—Ni—Mgxv168.72 (4)
Nii—Ga—Mgvii64.36 (2)Nivi—Ni—Mgxv113.29 (2)
Niii—Ga—Mgvii60.80 (3)Niiv—Ni—Mgxv113.29 (2)
Niiii—Ga—Mgvii119.20 (3)Niii—Ni—Mgxv62.43 (3)
Niiv—Ga—Mgvii115.64 (2)Mgxi—Ni—Mgxv124.16 (7)
Niv—Ga—Mgvii64.36 (2)Mgxii—Ni—Mgxv64.514 (10)
Nivi—Ga—Mgvii115.64 (2)Mgxiii—Ni—Mgxv64.514 (10)
Nii—Ga—Mgii60.80 (3)Mgxiv—Ni—Mgxv118.237 (12)
Niii—Ga—Mgii64.36 (2)Gavi—Ni—Mg168.72 (4)
Niiii—Ga—Mgii115.64 (2)Gaiv—Ni—Mg64.847 (8)
Niiv—Ga—Mgii64.36 (2)Gaii—Ni—Mg64.847 (8)
Niv—Ga—Mgii115.64 (2)Nivi—Ni—Mg62.43 (3)
Nivi—Ga—Mgii119.20 (3)Niiv—Ni—Mg113.29 (2)
Mgvii—Ga—Mgii62.533 (14)Niii—Ni—Mg113.29 (2)
Nii—Ga—Mgiii119.20 (3)Mgxi—Ni—Mg64.513 (10)
Niii—Ga—Mgiii115.64 (2)Mgxii—Ni—Mg64.513 (10)
Niiii—Ga—Mgiii64.36 (2)Mgxiii—Ni—Mg124.16 (7)
Niiv—Ga—Mgiii115.64 (2)Mgxiv—Ni—Mg118.237 (12)
Niv—Ga—Mgiii64.36 (2)Mgxv—Ni—Mg118.237 (12)
Nivi—Ga—Mgiii60.80 (3)Nixvi—Mg—Nixvii166.83 (8)
Mgvii—Ga—Mgiii117.467 (14)Nixvi—Mg—Nivi95.83 (4)
Mgii—Ga—Mgiii180.00 (5)Nixvii—Mg—Nivi95.83 (4)
Nii—Ga—Mgviii115.64 (2)Nixvi—Mg—Ni95.83 (4)
Niii—Ga—Mgviii64.36 (2)Nixvii—Mg—Ni95.83 (4)
Niiii—Ga—Mgviii115.64 (2)Nivi—Mg—Ni55.14 (5)
Niiv—Ga—Mgviii119.20 (3)Nixvi—Mg—Gaiv141.10 (7)
Niv—Ga—Mgviii60.80 (3)Nixvii—Mg—Gaiv52.070 (19)
Nivi—Ga—Mgviii64.36 (2)Nivi—Mg—Gaiv50.80 (3)
Mgvii—Ga—Mgviii62.533 (14)Ni—Mg—Gaiv50.80 (3)
Mgii—Ga—Mgviii117.467 (14)Nixvi—Mg—Gaii52.070 (19)
Mgiii—Ga—Mgviii62.533 (14)Nixvii—Mg—Gaii141.10 (7)
Nii—Ga—Mgix64.36 (2)Nivi—Mg—Gaii50.80 (3)
Niii—Ga—Mgix115.64 (2)Ni—Mg—Gaii50.80 (3)
Niiii—Ga—Mgix64.36 (2)Gaiv—Mg—Gaii89.03 (5)
Niiv—Ga—Mgix60.80 (3)Nixvi—Mg—Mgxviii123.22 (4)
Niv—Ga—Mgix119.20 (3)Nixvii—Mg—Mgxviii60.01 (3)
Nivi—Ga—Mgix115.64 (2)Nivi—Mg—Mgxviii55.48 (3)
Mgvii—Ga—Mgix117.467 (14)Ni—Mg—Mgxviii101.28 (4)
Mgii—Ga—Mgix62.533 (14)Gaiv—Mg—Mgxviii58.733 (7)
Mgiii—Ga—Mgix117.467 (14)Gaii—Mg—Mgxviii102.73 (6)
Mgviii—Ga—Mgix180.00 (5)Nixvi—Mg—Mgxix60.01 (3)
Nii—Ga—Mgx115.64 (2)Nixvii—Mg—Mgxix123.22 (4)
Niii—Ga—Mgx119.20 (3)Nivi—Mg—Mgxix55.48 (3)
Niiii—Ga—Mgx60.80 (3)Ni—Mg—Mgxix101.28 (4)
Niiv—Ga—Mgx64.36 (2)Gaiv—Mg—Mgxix102.73 (6)
Niv—Ga—Mgx115.64 (2)Gaii—Mg—Mgxix58.733 (7)
Nivi—Ga—Mgx64.36 (2)Mgxviii—Mg—Mgxix63.65 (8)
Mgvii—Ga—Mgx180.0Nixvi—Mg—Mgxi60.01 (3)
Mgii—Ga—Mgx117.467 (14)Nixvii—Mg—Mgxi123.22 (4)
Mgiii—Ga—Mgx62.533 (14)Nivi—Mg—Mgxi101.28 (4)
Mgviii—Ga—Mgx117.467 (14)Ni—Mg—Mgxi55.48 (3)
Mgix—Ga—Mgx62.533 (14)Gaiv—Mg—Mgxi102.73 (6)
Gavi—Ni—Gaiv109.96 (2)Gaii—Mg—Mgxi58.733 (7)
Gavi—Ni—Gaii109.96 (2)Mgxviii—Mg—Mgxi155.83 (7)
Gaiv—Ni—Gaii109.96 (2)Mgxix—Mg—Mgxi110.86 (5)
Gavi—Ni—Nivi106.29 (2)Nixvi—Mg—Mgxii123.22 (4)
Gaiv—Ni—Nivi57.419 (16)Nixvii—Mg—Mgxii60.01 (3)
Gaii—Ni—Nivi57.419 (16)Nivi—Mg—Mgxii101.28 (4)
Gavi—Ni—Niiv57.419 (16)Ni—Mg—Mgxii55.48 (3)
Gaiv—Ni—Niiv106.29 (2)Gaiv—Mg—Mgxii58.733 (7)
Gaii—Ni—Niiv57.419 (16)Gaii—Mg—Mgxii102.73 (6)
Nivi—Ni—Niiv60.0Mgxviii—Mg—Mgxii110.86 (5)
Gavi—Ni—Niii57.419 (16)Mgxix—Mg—Mgxii155.83 (7)
Gaiv—Ni—Niii57.419 (16)Mgxi—Mg—Mgxii63.65 (8)
Gaii—Ni—Niii106.29 (2)Nixvi—Mg—Mgxx54.71 (3)
Nivi—Ni—Niii60.0Nixvii—Mg—Mgxx114.56 (4)
Niiv—Ni—Niii60.0Nivi—Mg—Mgxx149.118 (6)
Gavi—Ni—Mgxi123.895 (18)Ni—Mg—Mgxx113.29 (2)
Gaiv—Ni—Mgxi123.895 (18)Gaiv—Mg—Mgxx148.734 (7)
Gaii—Ni—Mgxi67.13 (4)Gaii—Mg—Mgxx98.84 (2)
Nivi—Ni—Mgxi114.56 (4)Mgxviii—Mg—Mgxx145.43 (2)
Niiv—Ni—Mgxi114.56 (4)Mgxix—Mg—Mgxx107.22 (5)
Niii—Ni—Mgxi173.42 (4)Mgxi—Mg—Mgxx58.17 (4)
Gavi—Ni—Mgxii123.895 (18)Mgxii—Mg—Mgxx90.0
Gaiv—Ni—Mgxii67.13 (4)Nixvi—Mg—Mgxxi114.56 (4)
Gaii—Ni—Mgxii123.895 (18)Nixvii—Mg—Mgxxi54.71 (3)
Nivi—Ni—Mgxii114.56 (4)Nivi—Mg—Mgxxi149.118 (6)
Niiv—Ni—Mgxii173.42 (4)Ni—Mg—Mgxxi113.29 (2)
Niii—Ni—Mgxii114.56 (4)Gaiv—Mg—Mgxxi98.84 (2)
Mgxi—Ni—Mgxii70.59 (7)Gaii—Mg—Mgxxi148.734 (7)
Gavi—Ni—Mgxiii67.13 (4)Mgxviii—Mg—Mgxxi107.22 (5)
Gaiv—Ni—Mgxiii123.895 (18)Mgxix—Mg—Mgxxi145.43 (2)
Gaii—Ni—Mgxiii123.895 (18)Mgxi—Mg—Mgxxi90.0
Nivi—Ni—Mgxiii173.42 (4)Mgxii—Mg—Mgxxi58.17 (4)
Niiv—Ni—Mgxiii114.56 (4)Mgxx—Mg—Mgxxi60.0
Symmetry codes: (i) x, y1/4, z1/4; (ii) x+1/4, y+1/4, z; (iii) x1/4, y1/4, z; (iv) x+1/4, y, z+1/4; (v) x1/4, y, z1/4; (vi) x, y+1/4, z+1/4; (vii) y1/4, z, x1/4; (viii) z, x+1/4, y+1/4; (ix) z, x1/4, y1/4; (x) y+1/4, z, x+1/4; (xi) y+1/4, z+1/2, x1/4; (xii) z+1/2, x1/4, y+1/4; (xiii) x1/4, y+1/4, z+1/2; (xiv) z, x, y; (xv) y, z, x; (xvi) x+1/4, y+1/2, z1/4; (xvii) x+1/4, y1/4, z+1/2; (xviii) y+1/2, z, x+1/2; (xix) z+1/2, x+1/2, y; (xx) z+1/2, x+3/4, y+1/4; (xxi) y+3/4, z, x+3/4.
 

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