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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
CCDC references: 2003807; 2003808
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).
Crystal data top
Ga105.30Mg69.48Ni48 | Mo Kα radiation, λ = 0.71073 Å |
Mr = 11847.42 | Cell parameters from 606 reflections |
Cubic, Fd3m | θ = 1.8–34.2° |
a = 19.8621 (6) Å | µ = 23.63 mm−1 |
V = 7835.7 (7) Å3 | T = 296 K |
Z = 2 | Prism, metallic grey |
F(000) = 10883.9 | 0.06 × 0.05 × 0.03 mm |
Dx = 5.021 Mg m−3 | |
Data collection top
Bruker Kappa APEXII CCD area-detector diffractometer | 828 independent reflections |
Radiation source: fine-focus sealed tube | 606 reflections with I > 2σ(I) |
Detector resolution: 25 pixels mm-1 | Rint = 0.068 |
φ scans | θmax = 34.2°, θmin = 1.8° |
Absorption correction: multi-scan (SADABS; Bruker, 2004) | h = −31→23 |
Tmin = 0.264, Tmax = 0.515 | k = −31→26 |
30711 measured reflections | l = −31→31 |
Refinement top
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary 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 = 1.06 | Δρmax = 1.47 e Å−3 |
828 reflections | Δρmin = −1.22 e Å−3 |
37 parameters | Extinction correction: SHELXL-2014/7 (Sheldrick 2014, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
0 restraints | Extinction 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 | x | y | z | Uiso*/Ueq | Occ. (<1) |
Ga1 | 0.07835 (2) | 0.07835 (2) | 0.26831 (3) | 0.01602 (16) | |
Ga2 | 0.08029 (2) | 0.08029 (2) | 0.48703 (3) | 0.01686 (16) | |
Ga3 | 0.03942 (6) | 0.03942 (6) | 0.03942 (6) | 0.0300 (6) | 0.581 (5) |
Ni1 | 0.03975 (2) | 0.03975 (2) | 0.37919 (3) | 0.01254 (15) | |
Mg1 | 0.31561 (7) | 0.31561 (7) | 0.12987 (9) | 0.0201 (4) | |
Mg2 | 0.28003 (9) | 0.28003 (9) | 0.28003 (9) | 0.0158 (6) | |
Mg3 | 0.3750 | 0.3750 | 0.3750 | 0.0136 (11) | |
Mg4 | 0.1250 | 0.1250 | 0.1250 | 0.016 (5) | 0.37 (3) |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Ga1 | 0.0167 (2) | 0.0167 (2) | 0.0147 (3) | −0.0038 (2) | −0.00076 (13) | −0.00076 (13) |
Ga2 | 0.0190 (2) | 0.0190 (2) | 0.0126 (3) | −0.0016 (2) | 0.00333 (14) | 0.00333 (14) |
Ga3 | 0.0300 (6) | 0.0300 (6) | 0.0300 (6) | 0.0000 (5) | 0.0000 (5) | 0.0000 (5) |
Ni1 | 0.0144 (2) | 0.0144 (2) | 0.0088 (3) | −0.0071 (2) | −0.00001 (15) | −0.00001 (15) |
Mg1 | 0.0216 (5) | 0.0216 (5) | 0.0170 (9) | 0.0009 (7) | −0.0017 (5) | −0.0017 (5) |
Mg2 | 0.0158 (6) | 0.0158 (6) | 0.0158 (6) | −0.0001 (6) | −0.0001 (6) | −0.0001 (6) |
Mg3 | 0.0136 (11) | 0.0136 (11) | 0.0136 (11) | 0.000 | 0.000 | 0.000 |
Mg4 | 0.016 (5) | 0.016 (5) | 0.016 (5) | 0.000 | 0.000 | 0.000 |
Geometric parameters (Å, º) top
Ga1—Ni1 | 2.4547 (8) | Mg1—Ga2xvi | 2.9818 (17) |
Ga1—Ga1i | 2.6209 (11) | Mg1—Ga2xvii | 2.9818 (17) |
Ga1—Ga1ii | 2.7150 (9) | Mg1—Ga1xvi | 3.0676 (17) |
Ga1—Ga1iii | 2.7150 (9) | Mg1—Ga1xvii | 3.0676 (17) |
Ga1—Ga3iv | 2.9683 (10) | Mg1—Ga1xix | 3.1219 (18) |
Ga1—Ga3v | 2.9683 (10) | Mg1—Ga1xviii | 3.1219 (18) |
Ga1—Mg2i | 3.053 (3) | Mg1—Mg2 | 3.145 (2) |
Ga1—Mg1vi | 3.0676 (17) | Mg1—Mg1xx | 3.1702 (18) |
Ga1—Mg1vii | 3.0676 (17) | Mg2—Ni1xix | 2.7786 (8) |
Ga1—Mg1viii | 3.1219 (18) | Mg2—Ni1i | 2.7786 (8) |
Ga1—Mg1ix | 3.1219 (18) | Mg2—Ni1xviii | 2.7786 (8) |
Ga1—Mg4 | 3.1336 (5) | Mg2—Ga1i | 3.053 (3) |
Ga2—Ni1 | 2.4258 (8) | Mg2—Ga1xix | 3.053 (3) |
Ga2—Ga2i | 2.5116 (11) | Mg2—Ga1xviii | 3.053 (3) |
Ga2—Ni1x | 2.5720 (6) | Mg2—Ga2xvi | 3.0697 (17) |
Ga2—Ni1xi | 2.5720 (6) | Mg2—Ga2xvii | 3.0697 (17) |
Ga2—Ga2xii | 2.6197 (9) | Mg2—Ga2xxi | 3.0697 (17) |
Ga2—Ga2xiii | 2.6197 (9) | Mg2—Ga2xxii | 3.0697 (17) |
Ga2—Mg1vii | 2.9817 (17) | Mg2—Ga2xxiii | 3.0697 (17) |
Ga2—Mg1vi | 2.9817 (17) | Mg2—Ga2xxiv | 3.0697 (17) |
Ga2—Mg3xiv | 3.0144 (6) | Mg3—Ga2xxv | 3.0144 (6) |
Ga2—Mg2vi | 3.0697 (17) | Mg3—Ga2xxvi | 3.0144 (6) |
Ga2—Mg2vii | 3.0697 (17) | Mg3—Ga2xiv | 3.0144 (6) |
Ga3—Ga3xv | 2.712 (4) | Mg3—Ga2xxiv | 3.0144 (6) |
Ga3—Mg4 | 2.944 (2) | Mg3—Ga2xvii | 3.0144 (6) |
Ga3—Ga1v | 2.9683 (10) | Mg3—Ga2xvi | 3.0144 (6) |
Ga3—Ga1ix | 2.9683 (10) | Mg3—Ga2xxiii | 3.0144 (6) |
Ga3—Ga1iv | 2.9683 (10) | Mg3—Ga2xxii | 3.0144 (6) |
Ga3—Ga1iii | 2.9683 (10) | Mg3—Ga2xxi | 3.0144 (6) |
Ga3—Ga1ii | 2.9683 (10) | Mg3—Ga2xxvii | 3.0144 (6) |
Ga3—Ga1viii | 2.9683 (10) | Mg3—Ga2xxviii | 3.0144 (6) |
Ni1—Ga2x | 2.5721 (6) | Mg3—Ga2xxix | 3.0144 (6) |
Ni1—Ga2xi | 2.5721 (6) | Mg4—Ga3iv | 2.944 (2) |
Ni1—Ni1x | 2.7709 (7) | Mg4—Ga3v | 2.944 (2) |
Ni1—Ni1xi | 2.7709 (7) | Mg4—Ga3i | 2.944 (2) |
Ni1—Mg2i | 2.7787 (8) | Mg4—Ga1i | 3.1336 (5) |
Ni1—Mg1vi | 2.9185 (12) | Mg4—Ga1xviii | 3.1336 (5) |
Ni1—Mg1vii | 2.9185 (12) | Mg4—Ga1xix | 3.1336 (5) |
Ni1—Mg1viii | 2.9194 (11) | Mg4—Ga1iv | 3.1336 (5) |
Ni1—Mg1ix | 2.9194 (11) | Mg4—Ga1viii | 3.1336 (5) |
Mg1—Ni1xvi | 2.9185 (12) | Mg4—Ga1v | 3.1336 (5) |
Mg1—Ni1xvii | 2.9185 (12) | Mg4—Ga1ix | 3.1336 (5) |
Mg1—Ni1xviii | 2.9194 (11) | Mg4—Ga1ii | 3.1336 (5) |
Mg1—Ni1xix | 2.9194 (11) | | |
| | | |
Ni1—Ga1—Ga1i | 116.210 (18) | Ni1xviii—Mg1—Ga1xix | 92.01 (5) |
Ni1—Ga1—Ga1ii | 114.430 (15) | Ni1xix—Mg1—Ga1xix | 47.80 (3) |
Ga1i—Ga1—Ga1ii | 120.0 | Ga2xvi—Mg1—Ga1xix | 96.23 (4) |
Ni1—Ga1—Ga1iii | 114.430 (15) | Ga2xvii—Mg1—Ga1xix | 118.34 (6) |
Ga1i—Ga1—Ga1iii | 120.0 | Ga1xvi—Mg1—Ga1xix | 118.31 (3) |
Ga1ii—Ga1—Ga1iii | 60.0 | Ga1xvii—Mg1—Ga1xix | 147.75 (7) |
Ni1—Ga1—Ga3iv | 122.79 (4) | Ni1xvi—Mg1—Ga1xviii | 148.19 (5) |
Ga1i—Ga1—Ga3iv | 63.801 (13) | Ni1xvii—Mg1—Ga1xviii | 97.83 (2) |
Ga1ii—Ga1—Ga3iv | 110.64 (3) | Ni1xviii—Mg1—Ga1xviii | 47.80 (3) |
Ga1iii—Ga1—Ga3iv | 62.784 (14) | Ni1xix—Mg1—Ga1xviii | 92.01 (5) |
Ni1—Ga1—Ga3v | 122.79 (4) | Ga2xvi—Mg1—Ga1xviii | 118.34 (6) |
Ga1i—Ga1—Ga3v | 63.801 (13) | Ga2xvii—Mg1—Ga1xviii | 96.23 (4) |
Ga1ii—Ga1—Ga3v | 62.784 (14) | Ga1xvi—Mg1—Ga1xviii | 147.75 (7) |
Ga1iii—Ga1—Ga3v | 110.64 (3) | Ga1xvii—Mg1—Ga1xviii | 118.31 (3) |
Ga3iv—Ga1—Ga3v | 108.16 (7) | Ga1xix—Mg1—Ga1xviii | 51.55 (4) |
Ni1—Ga1—Mg2i | 59.42 (3) | Ni1xvi—Mg1—Mg2 | 100.72 (5) |
Ga1i—Ga1—Mg2i | 175.63 (3) | Ni1xvii—Mg1—Mg2 | 100.72 (5) |
Ga1ii—Ga1—Mg2i | 63.60 (3) | Ni1xviii—Mg1—Mg2 | 54.38 (3) |
Ga1iii—Ga1—Mg2i | 63.60 (3) | Ni1xix—Mg1—Mg2 | 54.38 (3) |
Ga3iv—Ga1—Mg2i | 118.01 (2) | Ga2xvi—Mg1—Mg2 | 60.06 (6) |
Ga3v—Ga1—Mg2i | 118.01 (2) | Ga2xvii—Mg1—Mg2 | 60.06 (6) |
Ni1—Ga1—Mg1vi | 62.65 (3) | Ga1xvi—Mg1—Mg2 | 149.06 (5) |
Ga1i—Ga1—Mg1vi | 64.711 (18) | Ga1xvii—Mg1—Mg2 | 149.06 (5) |
Ga1ii—Ga1—Mg1vi | 175.05 (2) | Ga1xix—Mg1—Mg2 | 58.30 (6) |
Ga1iii—Ga1—Mg1vi | 116.90 (3) | Ga1xviii—Mg1—Mg2 | 58.30 (6) |
Ga3iv—Ga1—Mg1vi | 69.51 (5) | Ni1xvi—Mg1—Mg1xx | 151.43 (10) |
Ga3v—Ga1—Mg1vi | 122.07 (3) | Ni1xvii—Mg1—Mg1xx | 57.12 (4) |
Mg2i—Ga1—Mg1vi | 111.77 (3) | Ni1xviii—Mg1—Mg1xx | 57.10 (4) |
Ni1—Ga1—Mg1vii | 62.65 (3) | Ni1xix—Mg1—Mg1xx | 149.81 (10) |
Ga1i—Ga1—Mg1vii | 64.711 (18) | Ga2xvi—Mg1—Mg1xx | 144.89 (2) |
Ga1ii—Ga1—Mg1vii | 116.90 (3) | Ga2xvii—Mg1—Mg1xx | 95.085 (19) |
Ga1iii—Ga1—Mg1vii | 175.05 (2) | Ga1xvi—Mg1—Mg1xx | 103.91 (7) |
Ga3iv—Ga1—Mg1vii | 122.07 (3) | Ga1xvii—Mg1—Mg1xx | 60.04 (5) |
Ga3v—Ga1—Mg1vii | 69.51 (5) | Ga1xix—Mg1—Mg1xx | 103.20 (7) |
Mg2i—Ga1—Mg1vii | 111.77 (3) | Ga1xviii—Mg1—Mg1xx | 58.35 (5) |
Mg1vi—Ga1—Mg1vii | 65.89 (7) | Mg2—Mg1—Mg1xx | 106.71 (7) |
Ni1—Ga1—Mg1viii | 61.77 (3) | Ni1xix—Mg2—Ni1i | 117.28 (3) |
Ga1i—Ga1—Mg1viii | 117.36 (3) | Ni1xix—Mg2—Ni1xviii | 117.28 (3) |
Ga1ii—Ga1—Mg1viii | 64.225 (18) | Ni1i—Mg2—Ni1xviii | 117.28 (3) |
Ga1iii—Ga1—Mg1viii | 113.62 (2) | Ni1xix—Mg2—Ga1i | 96.32 (7) |
Ga3iv—Ga1—Mg1viii | 174.78 (4) | Ni1i—Mg2—Ga1i | 49.51 (4) |
Ga3v—Ga1—Mg1viii | 69.05 (4) | Ni1xviii—Mg2—Ga1i | 96.32 (7) |
Mg2i—Ga1—Mg1viii | 61.23 (3) | Ni1xix—Mg2—Ga1xix | 49.51 (4) |
Mg1vi—Ga1—Mg1viii | 115.69 (5) | Ni1i—Mg2—Ga1xix | 96.32 (7) |
Mg1vii—Ga1—Mg1viii | 61.61 (3) | Ni1xviii—Mg2—Ga1xix | 96.32 (7) |
Ni1—Ga1—Mg1ix | 61.77 (3) | Ga1i—Mg2—Ga1xix | 52.80 (5) |
Ga1i—Ga1—Mg1ix | 117.36 (3) | Ni1xix—Mg2—Ga1xviii | 96.32 (7) |
Ga1ii—Ga1—Mg1ix | 113.62 (2) | Ni1i—Mg2—Ga1xviii | 96.32 (7) |
Ga1iii—Ga1—Mg1ix | 64.225 (18) | Ni1xviii—Mg2—Ga1xviii | 49.51 (4) |
Ga3iv—Ga1—Mg1ix | 69.05 (4) | Ga1i—Mg2—Ga1xviii | 52.80 (5) |
Ga3v—Ga1—Mg1ix | 174.78 (4) | Ga1xix—Mg2—Ga1xviii | 52.80 (5) |
Mg2i—Ga1—Mg1ix | 61.23 (3) | Ni1xix—Mg2—Ga2xvi | 51.89 (2) |
Mg1vi—Ga1—Mg1ix | 61.61 (3) | Ni1i—Mg2—Ga2xvi | 144.12 (7) |
Mg1vii—Ga1—Mg1ix | 115.69 (5) | Ni1xviii—Mg2—Ga2xvi | 94.68 (3) |
Mg1viii—Ga1—Mg1ix | 113.35 (7) | Ga1i—Mg2—Ga2xvi | 147.70 (6) |
Ni1—Ga1—Mg4 | 178.51 (3) | Ga1xix—Mg2—Ga2xvi | 95.86 (2) |
Ga1i—Ga1—Mg4 | 65.280 (10) | Ga1xviii—Mg2—Ga2xvi | 117.77 (3) |
Ga1ii—Ga1—Mg4 | 64.328 (8) | Ni1xix—Mg2—Ga2xvii | 94.68 (3) |
Ga1iii—Ga1—Mg4 | 64.328 (8) | Ni1i—Mg2—Ga2xvii | 144.12 (7) |
Ga3iv—Ga1—Mg4 | 57.62 (4) | Ni1xviii—Mg2—Ga2xvii | 51.89 (2) |
Ga3v—Ga1—Mg4 | 57.62 (4) | Ga1i—Mg2—Ga2xvii | 147.70 (6) |
Mg2i—Ga1—Mg4 | 119.09 (3) | Ga1xix—Mg2—Ga2xvii | 117.77 (3) |
Mg1vi—Ga1—Mg4 | 118.52 (3) | Ga1xviii—Mg2—Ga2xvii | 95.86 (2) |
Mg1vii—Ga1—Mg4 | 118.52 (3) | Ga2xvi—Mg2—Ga2xvii | 48.30 (3) |
Mg1viii—Ga1—Mg4 | 117.74 (3) | Ni1xix—Mg2—Ga2xxi | 144.12 (7) |
Mg1ix—Ga1—Mg4 | 117.74 (3) | Ni1i—Mg2—Ga2xxi | 51.89 (2) |
Ni1—Ga2—Ga2i | 117.999 (19) | Ni1xviii—Mg2—Ga2xxi | 94.68 (3) |
Ni1—Ga2—Ni1x | 67.267 (15) | Ga1i—Mg2—Ga2xxi | 95.86 (2) |
Ga2i—Ga2—Ni1x | 115.737 (16) | Ga1xix—Mg2—Ga2xxi | 147.70 (6) |
Ni1—Ga2—Ni1xi | 67.268 (15) | Ga1xviii—Mg2—Ga2xxi | 117.77 (3) |
Ga2i—Ga2—Ni1xi | 115.737 (16) | Ga2xvi—Mg2—Ga2xxi | 113.40 (10) |
Ni1x—Ga2—Ni1xi | 122.50 (3) | Ga2xvii—Mg2—Ga2xxi | 92.75 (7) |
Ni1—Ga2—Ga2xii | 112.932 (16) | Ni1xix—Mg2—Ga2xxii | 144.12 (7) |
Ga2i—Ga2—Ga2xii | 120.000 (1) | Ni1i—Mg2—Ga2xxii | 94.68 (3) |
Ni1x—Ga2—Ga2xii | 59.385 (13) | Ni1xviii—Mg2—Ga2xxii | 51.89 (2) |
Ni1xi—Ga2—Ga2xii | 111.559 (14) | Ga1i—Mg2—Ga2xxii | 117.77 (3) |
Ni1—Ga2—Ga2xiii | 112.931 (16) | Ga1xix—Mg2—Ga2xxii | 147.70 (6) |
Ga2i—Ga2—Ga2xiii | 120.000 (1) | Ga1xviii—Mg2—Ga2xxii | 95.86 (2) |
Ni1x—Ga2—Ga2xiii | 111.559 (14) | Ga2xvi—Mg2—Ga2xxii | 92.75 (7) |
Ni1xi—Ga2—Ga2xiii | 59.385 (13) | Ga2xvii—Mg2—Ga2xxii | 50.52 (4) |
Ga2xii—Ga2—Ga2xiii | 59.999 (1) | Ga2xxi—Mg2—Ga2xxii | 48.30 (3) |
Ni1—Ga2—Mg1vii | 64.37 (3) | Ni1xix—Mg2—Ga2xxiii | 51.89 (2) |
Ga2i—Ga2—Mg1vii | 65.093 (19) | Ni1i—Mg2—Ga2xxiii | 94.68 (3) |
Ni1x—Ga2—Mg1vii | 121.72 (4) | Ni1xviii—Mg2—Ga2xxiii | 144.12 (7) |
Ni1xi—Ga2—Mg1vii | 62.92 (3) | Ga1i—Mg2—Ga2xxiii | 117.77 (3) |
Ga2xii—Ga2—Mg1vii | 174.32 (2) | Ga1xix—Mg2—Ga2xxiii | 95.86 (2) |
Ga2xiii—Ga2—Mg1vii | 115.82 (4) | Ga1xviii—Mg2—Ga2xxiii | 147.70 (6) |
Ni1—Ga2—Mg1vi | 64.37 (3) | Ga2xvi—Mg2—Ga2xxiii | 50.52 (4) |
Ga2i—Ga2—Mg1vi | 65.093 (19) | Ga2xvii—Mg2—Ga2xxiii | 92.75 (7) |
Ni1x—Ga2—Mg1vi | 62.92 (3) | Ga2xxi—Mg2—Ga2xxiii | 92.75 (7) |
Ni1xi—Ga2—Mg1vi | 121.72 (4) | Ga2xxii—Mg2—Ga2xxiii | 113.40 (10) |
Ga2xii—Ga2—Mg1vi | 115.82 (4) | Ni1xix—Mg2—Ga2xxiv | 94.68 (3) |
Ga2xiii—Ga2—Mg1vi | 174.32 (2) | Ni1i—Mg2—Ga2xxiv | 51.89 (2) |
Mg1vii—Ga2—Mg1vi | 68.05 (7) | Ni1xviii—Mg2—Ga2xxiv | 144.12 (7) |
Ni1—Ga2—Mg3xiv | 176.62 (3) | Ga1i—Mg2—Ga2xxiv | 95.86 (2) |
Ga2i—Ga2—Mg3xiv | 65.380 (10) | Ga1xix—Mg2—Ga2xxiv | 117.77 (3) |
Ni1x—Ga2—Mg3xiv | 111.647 (15) | Ga1xviii—Mg2—Ga2xxiv | 147.70 (6) |
Ni1xi—Ga2—Mg3xiv | 111.647 (15) | Ga2xvi—Mg2—Ga2xxiv | 92.75 (7) |
Ga2xii—Ga2—Mg3xiv | 64.245 (9) | Ga2xvii—Mg2—Ga2xxiv | 113.40 (10) |
Ga2xiii—Ga2—Mg3xiv | 64.245 (9) | Ga2xxi—Mg2—Ga2xxiv | 50.52 (4) |
Mg1vii—Ga2—Mg3xiv | 118.26 (3) | Ga2xxii—Mg2—Ga2xxiv | 92.75 (7) |
Mg1vi—Ga2—Mg3xiv | 118.26 (3) | Ga2xxiii—Mg2—Ga2xxiv | 48.30 (3) |
Ni1—Ga2—Mg2vi | 115.96 (5) | Ga2xxv—Mg3—Ga2xxvi | 51.509 (17) |
Ga2i—Ga2—Mg2vi | 65.852 (17) | Ga2xxv—Mg3—Ga2xiv | 51.509 (17) |
Ni1x—Ga2—Mg2vi | 58.21 (4) | Ga2xxvi—Mg3—Ga2xiv | 51.509 (17) |
Ni1xi—Ga2—Mg2vi | 175.64 (4) | Ga2xxv—Mg3—Ga2xxiv | 145.735 (14) |
Ga2xii—Ga2—Mg2vi | 64.741 (18) | Ga2xxvi—Mg3—Ga2xxiv | 116.668 (6) |
Ga2xiii—Ga2—Mg2vi | 116.25 (4) | Ga2xiv—Mg3—Ga2xxiv | 94.978 (4) |
Mg1vii—Ga2—Mg2vi | 120.84 (4) | Ga2xxv—Mg3—Ga2xvii | 94.978 (4) |
Mg1vi—Ga2—Mg2vi | 62.62 (5) | Ga2xxvi—Mg3—Ga2xvii | 116.668 (6) |
Mg3xiv—Ga2—Mg2vi | 64.95 (5) | Ga2xiv—Mg3—Ga2xvii | 145.735 (14) |
Ni1—Ga2—Mg2vii | 115.96 (5) | Ga2xxiv—Mg3—Ga2xvii | 116.668 (6) |
Ga2i—Ga2—Mg2vii | 65.852 (17) | Ga2xxv—Mg3—Ga2xvi | 116.668 (6) |
Ni1x—Ga2—Mg2vii | 175.64 (4) | Ga2xxvi—Mg3—Ga2xvi | 94.978 (4) |
Ni1xi—Ga2—Mg2vii | 58.21 (4) | Ga2xiv—Mg3—Ga2xvi | 145.735 (14) |
Ga2xii—Ga2—Mg2vii | 116.25 (4) | Ga2xxiv—Mg3—Ga2xvi | 94.978 (4) |
Ga2xiii—Ga2—Mg2vii | 64.741 (18) | Ga2xvii—Mg3—Ga2xvi | 49.24 (2) |
Mg1vii—Ga2—Mg2vii | 62.62 (5) | Ga2xxv—Mg3—Ga2xxiii | 145.735 (14) |
Mg1vi—Ga2—Mg2vii | 120.84 (4) | Ga2xxvi—Mg3—Ga2xxiii | 94.978 (4) |
Mg3xiv—Ga2—Mg2vii | 64.95 (5) | Ga2xiv—Mg3—Ga2xxiii | 116.668 (6) |
Mg2vi—Ga2—Mg2vii | 120.69 (8) | Ga2xxiv—Mg3—Ga2xxiii | 49.24 (2) |
Ga3xv—Ga3—Mg4 | 180.00 (19) | Ga2xvii—Mg3—Ga2xxiii | 94.978 (4) |
Ga3xv—Ga3—Ga1v | 115.99 (4) | Ga2xvi—Mg3—Ga2xxiii | 51.509 (17) |
Mg4—Ga3—Ga1v | 64.01 (4) | Ga2xxv—Mg3—Ga2xxii | 94.978 (4) |
Ga3xv—Ga3—Ga1ix | 115.99 (4) | Ga2xxvi—Mg3—Ga2xxii | 145.735 (14) |
Mg4—Ga3—Ga1ix | 64.01 (4) | Ga2xiv—Mg3—Ga2xxii | 116.668 (6) |
Ga1v—Ga3—Ga1ix | 54.43 (3) | Ga2xxiv—Mg3—Ga2xxii | 94.978 (4) |
Ga3xv—Ga3—Ga1iv | 115.99 (4) | Ga2xvii—Mg3—Ga2xxii | 51.509 (17) |
Mg4—Ga3—Ga1iv | 64.01 (4) | Ga2xvi—Mg3—Ga2xxii | 94.978 (4) |
Ga1v—Ga3—Ga1iv | 52.40 (3) | Ga2xxiii—Mg3—Ga2xxii | 116.668 (6) |
Ga1ix—Ga3—Ga1iv | 102.24 (5) | Ga2xxv—Mg3—Ga2xxi | 116.668 (6) |
Ga3xv—Ga3—Ga1iii | 115.99 (4) | Ga2xxvi—Mg3—Ga2xxi | 145.735 (14) |
Mg4—Ga3—Ga1iii | 64.01 (4) | Ga2xiv—Mg3—Ga2xxi | 94.978 (4) |
Ga1v—Ga3—Ga1iii | 128.01 (8) | Ga2xxiv—Mg3—Ga2xxi | 51.509 (17) |
Ga1ix—Ga3—Ga1iii | 102.24 (5) | Ga2xvii—Mg3—Ga2xxi | 94.978 (4) |
Ga1iv—Ga3—Ga1iii | 102.24 (5) | Ga2xvi—Mg3—Ga2xxi | 116.668 (6) |
Ga3xv—Ga3—Ga1ii | 115.99 (4) | Ga2xxiii—Mg3—Ga2xxi | 94.978 (4) |
Mg4—Ga3—Ga1ii | 64.01 (4) | Ga2xxii—Mg3—Ga2xxi | 49.24 (2) |
Ga1v—Ga3—Ga1ii | 102.24 (5) | Ga2xxv—Mg3—Ga2xxvii | 94.978 (4) |
Ga1ix—Ga3—Ga1ii | 52.40 (3) | Ga2xxvi—Mg3—Ga2xxvii | 94.978 (4) |
Ga1iv—Ga3—Ga1ii | 128.01 (8) | Ga2xiv—Mg3—Ga2xxvii | 49.24 (2) |
Ga1iii—Ga3—Ga1ii | 54.43 (3) | Ga2xxiv—Mg3—Ga2xxvii | 51.509 (17) |
Ga3xv—Ga3—Ga1viii | 115.99 (4) | Ga2xvii—Mg3—Ga2xxvii | 145.735 (14) |
Mg4—Ga3—Ga1viii | 64.01 (4) | Ga2xvi—Mg3—Ga2xxvii | 145.735 (14) |
Ga1v—Ga3—Ga1viii | 102.24 (5) | Ga2xxiii—Mg3—Ga2xxvii | 94.978 (4) |
Ga1ix—Ga3—Ga1viii | 128.01 (8) | Ga2xxii—Mg3—Ga2xxvii | 94.978 (4) |
Ga1iv—Ga3—Ga1viii | 54.43 (3) | Ga2xxi—Mg3—Ga2xxvii | 51.509 (17) |
Ga1iii—Ga3—Ga1viii | 52.40 (3) | Ga2xxv—Mg3—Ga2xxviii | 94.978 (4) |
Ga1ii—Ga3—Ga1viii | 102.24 (5) | Ga2xxvi—Mg3—Ga2xxviii | 49.24 (2) |
Ga2—Ni1—Ga1 | 125.79 (3) | Ga2xiv—Mg3—Ga2xxviii | 94.978 (4) |
Ga2—Ni1—Ga2x | 95.75 (3) | Ga2xxiv—Mg3—Ga2xxviii | 94.978 (4) |
Ga1—Ni1—Ga2x | 129.40 (2) | Ga2xvii—Mg3—Ga2xxviii | 94.978 (4) |
Ga2—Ni1—Ga2xi | 95.75 (3) | Ga2xvi—Mg3—Ga2xxviii | 51.509 (17) |
Ga1—Ni1—Ga2xi | 129.40 (2) | Ga2xxiii—Mg3—Ga2xxviii | 51.509 (17) |
Ga2x—Ni1—Ga2xi | 61.23 (3) | Ga2xxii—Mg3—Ga2xxviii | 145.735 (14) |
Ga2—Ni1—Ni1x | 58.885 (18) | Ga2xxi—Mg3—Ga2xxviii | 145.735 (14) |
Ga1—Ni1—Ni1x | 121.186 (6) | Ga2xxvii—Mg3—Ga2xxviii | 116.668 (6) |
Ga2x—Ni1—Ni1x | 53.850 (16) | Ga2xxv—Mg3—Ga2xxix | 49.24 (2) |
Ga2xi—Ni1—Ni1x | 103.826 (17) | Ga2xxvi—Mg3—Ga2xxix | 94.978 (4) |
Ga2—Ni1—Ni1xi | 58.885 (17) | Ga2xiv—Mg3—Ga2xxix | 94.978 (4) |
Ga1—Ni1—Ni1xi | 121.186 (6) | Ga2xxiv—Mg3—Ga2xxix | 145.735 (14) |
Ga2x—Ni1—Ni1xi | 103.826 (17) | Ga2xvii—Mg3—Ga2xxix | 51.509 (17) |
Ga2xi—Ni1—Ni1xi | 53.850 (16) | Ga2xvi—Mg3—Ga2xxix | 94.978 (4) |
Ni1x—Ni1—Ni1xi | 108.94 (2) | Ga2xxiii—Mg3—Ga2xxix | 145.735 (14) |
Ga2—Ni1—Mg2i | 163.14 (7) | Ga2xxii—Mg3—Ga2xxix | 51.509 (17) |
Ga1—Ni1—Mg2i | 71.07 (6) | Ga2xxi—Mg3—Ga2xxix | 94.978 (4) |
Ga2x—Ni1—Mg2i | 69.89 (6) | Ga2xxvii—Mg3—Ga2xxix | 116.668 (6) |
Ga2xi—Ni1—Mg2i | 69.89 (6) | Ga2xxviii—Mg3—Ga2xxix | 116.668 (6) |
Ni1x—Ni1—Mg2i | 114.67 (4) | Ga3—Mg4—Ga3iv | 109.5 |
Ni1xi—Ni1—Mg2i | 114.67 (4) | Ga3—Mg4—Ga3v | 109.5 |
Ga2—Ni1—Mg1vi | 67.09 (4) | Ga3iv—Mg4—Ga3v | 109.5 |
Ga1—Ni1—Mg1vi | 69.01 (4) | Ga3—Mg4—Ga3i | 109.5 |
Ga2x—Ni1—Mg1vi | 111.42 (3) | Ga3iv—Mg4—Ga3i | 109.5 |
Ga2xi—Ni1—Mg1vi | 161.35 (4) | Ga3v—Mg4—Ga3i | 109.5 |
Ni1x—Ni1—Mg1vi | 61.68 (4) | Ga3—Mg4—Ga1i | 149.985 (10) |
Ni1xi—Ni1—Mg1vi | 117.13 (4) | Ga3iv—Mg4—Ga1i | 58.370 (3) |
Mg2i—Ni1—Mg1vi | 125.59 (6) | Ga3v—Mg4—Ga1i | 58.370 (3) |
Ga2—Ni1—Mg1vii | 67.09 (4) | Ga3i—Mg4—Ga1i | 100.543 (10) |
Ga1—Ni1—Mg1vii | 69.01 (4) | Ga3—Mg4—Ga1xviii | 149.985 (10) |
Ga2x—Ni1—Mg1vii | 161.35 (4) | Ga3iv—Mg4—Ga1xviii | 58.370 (3) |
Ga2xi—Ni1—Mg1vii | 111.42 (3) | Ga3v—Mg4—Ga1xviii | 100.543 (10) |
Ni1x—Ni1—Mg1vii | 117.13 (4) | Ga3i—Mg4—Ga1xviii | 58.370 (3) |
Ni1xi—Ni1—Mg1vii | 61.68 (4) | Ga1i—Mg4—Ga1xviii | 51.342 (16) |
Mg2i—Ni1—Mg1vii | 125.59 (6) | Ga3—Mg4—Ga1xix | 149.985 (10) |
Mg1vi—Ni1—Mg1vii | 69.73 (7) | Ga3iv—Mg4—Ga1xix | 100.543 (10) |
Ga2—Ni1—Mg1viii | 116.00 (3) | Ga3v—Mg4—Ga1xix | 58.370 (3) |
Ga1—Ni1—Mg1viii | 70.42 (4) | Ga3i—Mg4—Ga1xix | 58.370 (3) |
Ga2x—Ni1—Mg1viii | 119.61 (4) | Ga1i—Mg4—Ga1xix | 51.342 (16) |
Ga2xi—Ni1—Mg1viii | 65.42 (4) | Ga1xviii—Mg4—Ga1xix | 51.342 (16) |
Ni1x—Ni1—Mg1viii | 168.38 (4) | Ga3—Mg4—Ga1iv | 58.370 (3) |
Ni1xi—Ni1—Mg1viii | 61.65 (4) | Ga3iv—Mg4—Ga1iv | 100.543 (10) |
Mg2i—Ni1—Mg1viii | 66.96 (3) | Ga3v—Mg4—Ga1iv | 149.985 (10) |
Mg1vi—Ni1—Mg1viii | 127.69 (5) | Ga3i—Mg4—Ga1iv | 58.370 (3) |
Mg1vii—Ni1—Mg1viii | 65.78 (6) | Ga1i—Mg4—Ga1iv | 145.600 (13) |
Ga2—Ni1—Mg1ix | 116.00 (3) | Ga1xviii—Mg4—Ga1iv | 95.017 (4) |
Ga1—Ni1—Mg1ix | 70.42 (4) | Ga1xix—Mg4—Ga1iv | 116.729 (6) |
Ga2x—Ni1—Mg1ix | 65.42 (4) | Ga3—Mg4—Ga1viii | 58.370 (3) |
Ga2xi—Ni1—Mg1ix | 119.61 (4) | Ga3iv—Mg4—Ga1viii | 58.370 (3) |
Ni1x—Ni1—Mg1ix | 61.65 (4) | Ga3v—Mg4—Ga1viii | 149.985 (10) |
Ni1xi—Ni1—Mg1ix | 168.38 (4) | Ga3i—Mg4—Ga1viii | 100.543 (10) |
Mg2i—Ni1—Mg1ix | 66.96 (3) | Ga1i—Mg4—Ga1viii | 116.729 (6) |
Mg1vi—Ni1—Mg1ix | 65.78 (6) | Ga1xviii—Mg4—Ga1viii | 95.017 (4) |
Mg1vii—Ni1—Mg1ix | 127.69 (5) | Ga1xix—Mg4—Ga1viii | 145.600 (13) |
Mg1viii—Ni1—Mg1ix | 126.64 (7) | Ga1iv—Mg4—Ga1viii | 51.342 (16) |
Ni1xvi—Mg1—Ni1xvii | 110.27 (6) | Ga3—Mg4—Ga1v | 58.370 (3) |
Ni1xvi—Mg1—Ni1xviii | 141.65 (7) | Ga3iv—Mg4—Ga1v | 149.985 (10) |
Ni1xvii—Mg1—Ni1xviii | 56.67 (2) | Ga3v—Mg4—Ga1v | 100.543 (10) |
Ni1xvi—Mg1—Ni1xix | 56.67 (2) | Ga3i—Mg4—Ga1v | 58.370 (3) |
Ni1xvii—Mg1—Ni1xix | 141.65 (7) | Ga1i—Mg4—Ga1v | 145.600 (13) |
Ni1xviii—Mg1—Ni1xix | 108.73 (6) | Ga1xviii—Mg4—Ga1v | 116.729 (6) |
Ni1xvi—Mg1—Ga2xvi | 48.54 (3) | Ga1xix—Mg4—Ga1v | 95.017 (4) |
Ni1xvii—Mg1—Ga2xvi | 91.66 (5) | Ga1iv—Mg4—Ga1v | 49.44 (2) |
Ni1xviii—Mg1—Ga2xvi | 93.69 (5) | Ga1viii—Mg4—Ga1v | 95.017 (4) |
Ni1xix—Mg1—Ga2xvi | 51.67 (3) | Ga3—Mg4—Ga1ix | 58.370 (3) |
Ni1xvi—Mg1—Ga2xvii | 91.66 (5) | Ga3iv—Mg4—Ga1ix | 149.985 (10) |
Ni1xvii—Mg1—Ga2xvii | 48.54 (3) | Ga3v—Mg4—Ga1ix | 58.370 (3) |
Ni1xviii—Mg1—Ga2xvii | 51.67 (3) | Ga3i—Mg4—Ga1ix | 100.543 (10) |
Ni1xix—Mg1—Ga2xvii | 93.69 (5) | Ga1i—Mg4—Ga1ix | 116.729 (6) |
Ga2xvi—Mg1—Ga2xvii | 49.82 (4) | Ga1xviii—Mg4—Ga1ix | 145.600 (13) |
Ni1xvi—Mg1—Ga1xvi | 48.34 (3) | Ga1xix—Mg4—Ga1ix | 95.017 (4) |
Ni1xvii—Mg1—Ga1xvi | 92.08 (5) | Ga1iv—Mg4—Ga1ix | 95.017 (4) |
Ni1xviii—Mg1—Ga1xvi | 148.38 (5) | Ga1viii—Mg4—Ga1ix | 116.729 (6) |
Ni1xix—Mg1—Ga1xvi | 99.04 (2) | Ga1v—Mg4—Ga1ix | 51.342 (16) |
Ga2xvi—Mg1—Ga1xvi | 91.80 (4) | Ga3—Mg4—Ga1ii | 58.370 (3) |
Ga2xvii—Mg1—Ga1xvi | 113.03 (6) | Ga3iv—Mg4—Ga1ii | 100.543 (10) |
Ni1xvi—Mg1—Ga1xvii | 92.08 (5) | Ga3v—Mg4—Ga1ii | 58.370 (3) |
Ni1xvii—Mg1—Ga1xvii | 48.34 (3) | Ga3i—Mg4—Ga1ii | 149.985 (10) |
Ni1xviii—Mg1—Ga1xvii | 99.04 (2) | Ga1i—Mg4—Ga1ii | 95.017 (4) |
Ni1xix—Mg1—Ga1xvii | 148.38 (5) | Ga1xviii—Mg4—Ga1ii | 145.600 (13) |
Ga2xvi—Mg1—Ga1xvii | 113.03 (6) | Ga1xix—Mg4—Ga1ii | 116.729 (6) |
Ga2xvii—Mg1—Ga1xvii | 91.80 (4) | Ga1iv—Mg4—Ga1ii | 116.729 (6) |
Ga1xvi—Mg1—Ga1xvii | 50.58 (4) | Ga1viii—Mg4—Ga1ii | 95.017 (4) |
Ni1xvi—Mg1—Ga1xix | 97.83 (2) | Ga1v—Mg4—Ga1ii | 95.017 (4) |
Ni1xvii—Mg1—Ga1xix | 148.19 (5) | Ga1ix—Mg4—Ga1ii | 49.44 (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) x−1/4, −y+1/2, z+1/4; (vii) −x+1/2, y−1/4, 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) z−1/2, x, y+1/2; (xiii) y, z−1/2, x+1/2; (xiv) −x+1/2, −y+1/2, −z+1; (xv) −x, −y, −z; (xvi) −x+1/2, y+1/4, z−1/4; (xvii) x+1/4, −y+1/2, z−1/4; (xviii) −y+1/4, z, −x+1/4; (xix) z, −x+1/4, −y+1/4; (xx) −y+1/2, z+1/4, x−1/4; (xxi) z−1/4, x+1/4, −y+1/2; (xxii) z−1/4, −x+1/2, y+1/4; (xxiii) −y+1/2, z−1/4, x+1/4; (xxiv) y+1/4, z−1/4, −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. |
Crystal data top
Ga8Mg24Ni16 | Mo Kα radiation, λ = 0.71073 Å |
Mr = 2080.24 | Cell parameters from 115 reflections |
Cubic, Fd3m | θ = 3.1–28.1° |
a = 11.4886 (17) Å | µ = 17.13 mm−1 |
V = 1516.4 (7) Å3 | T = 293 K |
Z = 2 | Prism, metallic grey |
F(000) = 1968 | 0.07 × 0.05 × 0.04 mm |
Dx = 4.556 Mg m−3 | |
Data collection top
Bruker Kappa APEXII CCD area-detector diffractometer | 115 independent reflections |
Radiation source: fine-focus sealed tube | 108 reflections with I > 2σ(I) |
Detector resolution: 25 pixels mm-1 | Rint = 0.071 |
φ scans | θmax = 28.1°, θmin = 3.1° |
Absorption correction: multi-scan (SADABS; Bruker, 2004) | h = −15→15 |
Tmin = 0.472, Tmax = 0.664 | k = −15→15 |
10535 measured reflections | l = −15→15 |
Refinement top
Refinement on F2 | 10 parameters |
Least-squares matrix: full | 0 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 = 1.47 | Δρmax = 0.41 e Å−3 |
115 reflections | Δρmin = −0.79 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 | |
Ga | 0.0000 | 0.0000 | 0.0000 | 0.0046 (3) | |
Ni | 0.20719 (5) | 0.20719 (5) | 0.20719 (5) | 0.0042 (2) | |
Mg | 0.42980 (17) | 0.1250 | 0.1250 | 0.0042 (4) | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Ga | 0.0046 (3) | 0.0046 (3) | 0.0046 (3) | −0.0005 (2) | −0.0005 (2) | −0.0005 (2) |
Ni | 0.0042 (2) | 0.0042 (2) | 0.0042 (2) | −0.0004 (2) | −0.0004 (2) | −0.0004 (2) |
Mg | 0.0046 (9) | 0.0041 (6) | 0.0041 (6) | 0.000 | 0.000 | −0.0002 (7) |
Geometric parameters (Å, º) top
Ga—Nii | 2.4799 (5) | Ni—Mgxi | 2.7446 (8) |
Ga—Niii | 2.4799 (5) | Ni—Mgxii | 2.7446 (8) |
Ga—Niiii | 2.4799 (5) | Ni—Mgxiii | 2.7446 (8) |
Ga—Niiv | 2.4799 (5) | Ni—Mgxiv | 2.8851 (18) |
Ga—Niv | 2.4799 (5) | Ni—Mgxv | 2.8851 (18) |
Ga—Nivi | 2.4799 (5) | Ni—Mg | 2.8851 (18) |
Ga—Mgvii | 2.8968 (14) | Mg—Nixvi | 2.7446 (8) |
Ga—Mgii | 2.8968 (14) | Mg—Nixvii | 2.7446 (8) |
Ga—Mgiii | 2.8968 (14) | Mg—Nivi | 2.8851 (18) |
Ga—Mgviii | 2.8968 (14) | Mg—Gaiv | 2.8968 (14) |
Ga—Mgix | 2.8968 (14) | Mg—Gaii | 2.8968 (14) |
Ga—Mgx | 2.8968 (14) | Mg—Mgxviii | 3.0070 (9) |
Ni—Gavi | 2.4799 (5) | Mg—Mgxix | 3.0070 (9) |
Ni—Gaiv | 2.4799 (5) | Mg—Mgxi | 3.0070 (9) |
Ni—Gaii | 2.4799 (5) | Mg—Mgxii | 3.0070 (9) |
Ni—Nivi | 2.6708 (16) | Mg—Mgxx | 3.172 (3) |
Ni—Niiv | 2.6708 (16) | Mg—Mgxxi | 3.172 (3) |
Ni—Niii | 2.6708 (16) | | |
| | | |
Nii—Ga—Niii | 114.84 (3) | Niii—Ni—Mgxiii | 114.56 (4) |
Nii—Ga—Niiii | 65.16 (3) | Mgxi—Ni—Mgxiii | 70.59 (7) |
Niii—Ga—Niiii | 180.0 | Mgxii—Ni—Mgxiii | 70.59 (7) |
Nii—Ga—Niiv | 114.84 (3) | Gavi—Ni—Mgxiv | 64.847 (8) |
Niii—Ga—Niiv | 65.16 (3) | Gaiv—Ni—Mgxiv | 168.72 (4) |
Niiii—Ga—Niiv | 114.84 (3) | Gaii—Ni—Mgxiv | 64.847 (8) |
Nii—Ga—Niv | 65.16 (3) | Nivi—Ni—Mgxiv | 113.29 (2) |
Niii—Ga—Niv | 114.84 (3) | Niiv—Ni—Mgxiv | 62.43 (3) |
Niiii—Ga—Niv | 65.16 (3) | Niii—Ni—Mgxiv | 113.29 (2) |
Niiv—Ga—Niv | 180.000 (17) | Mgxi—Ni—Mgxiv | 64.514 (10) |
Nii—Ga—Nivi | 180.00 (4) | Mgxii—Ni—Mgxiv | 124.16 (7) |
Niii—Ga—Nivi | 65.16 (3) | Mgxiii—Ni—Mgxiv | 64.514 (10) |
Niiii—Ga—Nivi | 114.84 (3) | Gavi—Ni—Mgxv | 64.847 (8) |
Niiv—Ga—Nivi | 65.16 (3) | Gaiv—Ni—Mgxv | 64.847 (8) |
Niv—Ga—Nivi | 114.84 (3) | Gaii—Ni—Mgxv | 168.72 (4) |
Nii—Ga—Mgvii | 64.36 (2) | Nivi—Ni—Mgxv | 113.29 (2) |
Niii—Ga—Mgvii | 60.80 (3) | Niiv—Ni—Mgxv | 113.29 (2) |
Niiii—Ga—Mgvii | 119.20 (3) | Niii—Ni—Mgxv | 62.43 (3) |
Niiv—Ga—Mgvii | 115.64 (2) | Mgxi—Ni—Mgxv | 124.16 (7) |
Niv—Ga—Mgvii | 64.36 (2) | Mgxii—Ni—Mgxv | 64.514 (10) |
Nivi—Ga—Mgvii | 115.64 (2) | Mgxiii—Ni—Mgxv | 64.514 (10) |
Nii—Ga—Mgii | 60.80 (3) | Mgxiv—Ni—Mgxv | 118.237 (12) |
Niii—Ga—Mgii | 64.36 (2) | Gavi—Ni—Mg | 168.72 (4) |
Niiii—Ga—Mgii | 115.64 (2) | Gaiv—Ni—Mg | 64.847 (8) |
Niiv—Ga—Mgii | 64.36 (2) | Gaii—Ni—Mg | 64.847 (8) |
Niv—Ga—Mgii | 115.64 (2) | Nivi—Ni—Mg | 62.43 (3) |
Nivi—Ga—Mgii | 119.20 (3) | Niiv—Ni—Mg | 113.29 (2) |
Mgvii—Ga—Mgii | 62.533 (14) | Niii—Ni—Mg | 113.29 (2) |
Nii—Ga—Mgiii | 119.20 (3) | Mgxi—Ni—Mg | 64.513 (10) |
Niii—Ga—Mgiii | 115.64 (2) | Mgxii—Ni—Mg | 64.513 (10) |
Niiii—Ga—Mgiii | 64.36 (2) | Mgxiii—Ni—Mg | 124.16 (7) |
Niiv—Ga—Mgiii | 115.64 (2) | Mgxiv—Ni—Mg | 118.237 (12) |
Niv—Ga—Mgiii | 64.36 (2) | Mgxv—Ni—Mg | 118.237 (12) |
Nivi—Ga—Mgiii | 60.80 (3) | Nixvi—Mg—Nixvii | 166.83 (8) |
Mgvii—Ga—Mgiii | 117.467 (14) | Nixvi—Mg—Nivi | 95.83 (4) |
Mgii—Ga—Mgiii | 180.00 (5) | Nixvii—Mg—Nivi | 95.83 (4) |
Nii—Ga—Mgviii | 115.64 (2) | Nixvi—Mg—Ni | 95.83 (4) |
Niii—Ga—Mgviii | 64.36 (2) | Nixvii—Mg—Ni | 95.83 (4) |
Niiii—Ga—Mgviii | 115.64 (2) | Nivi—Mg—Ni | 55.14 (5) |
Niiv—Ga—Mgviii | 119.20 (3) | Nixvi—Mg—Gaiv | 141.10 (7) |
Niv—Ga—Mgviii | 60.80 (3) | Nixvii—Mg—Gaiv | 52.070 (19) |
Nivi—Ga—Mgviii | 64.36 (2) | Nivi—Mg—Gaiv | 50.80 (3) |
Mgvii—Ga—Mgviii | 62.533 (14) | Ni—Mg—Gaiv | 50.80 (3) |
Mgii—Ga—Mgviii | 117.467 (14) | Nixvi—Mg—Gaii | 52.070 (19) |
Mgiii—Ga—Mgviii | 62.533 (14) | Nixvii—Mg—Gaii | 141.10 (7) |
Nii—Ga—Mgix | 64.36 (2) | Nivi—Mg—Gaii | 50.80 (3) |
Niii—Ga—Mgix | 115.64 (2) | Ni—Mg—Gaii | 50.80 (3) |
Niiii—Ga—Mgix | 64.36 (2) | Gaiv—Mg—Gaii | 89.03 (5) |
Niiv—Ga—Mgix | 60.80 (3) | Nixvi—Mg—Mgxviii | 123.22 (4) |
Niv—Ga—Mgix | 119.20 (3) | Nixvii—Mg—Mgxviii | 60.01 (3) |
Nivi—Ga—Mgix | 115.64 (2) | Nivi—Mg—Mgxviii | 55.48 (3) |
Mgvii—Ga—Mgix | 117.467 (14) | Ni—Mg—Mgxviii | 101.28 (4) |
Mgii—Ga—Mgix | 62.533 (14) | Gaiv—Mg—Mgxviii | 58.733 (7) |
Mgiii—Ga—Mgix | 117.467 (14) | Gaii—Mg—Mgxviii | 102.73 (6) |
Mgviii—Ga—Mgix | 180.00 (5) | Nixvi—Mg—Mgxix | 60.01 (3) |
Nii—Ga—Mgx | 115.64 (2) | Nixvii—Mg—Mgxix | 123.22 (4) |
Niii—Ga—Mgx | 119.20 (3) | Nivi—Mg—Mgxix | 55.48 (3) |
Niiii—Ga—Mgx | 60.80 (3) | Ni—Mg—Mgxix | 101.28 (4) |
Niiv—Ga—Mgx | 64.36 (2) | Gaiv—Mg—Mgxix | 102.73 (6) |
Niv—Ga—Mgx | 115.64 (2) | Gaii—Mg—Mgxix | 58.733 (7) |
Nivi—Ga—Mgx | 64.36 (2) | Mgxviii—Mg—Mgxix | 63.65 (8) |
Mgvii—Ga—Mgx | 180.0 | Nixvi—Mg—Mgxi | 60.01 (3) |
Mgii—Ga—Mgx | 117.467 (14) | Nixvii—Mg—Mgxi | 123.22 (4) |
Mgiii—Ga—Mgx | 62.533 (14) | Nivi—Mg—Mgxi | 101.28 (4) |
Mgviii—Ga—Mgx | 117.467 (14) | Ni—Mg—Mgxi | 55.48 (3) |
Mgix—Ga—Mgx | 62.533 (14) | Gaiv—Mg—Mgxi | 102.73 (6) |
Gavi—Ni—Gaiv | 109.96 (2) | Gaii—Mg—Mgxi | 58.733 (7) |
Gavi—Ni—Gaii | 109.96 (2) | Mgxviii—Mg—Mgxi | 155.83 (7) |
Gaiv—Ni—Gaii | 109.96 (2) | Mgxix—Mg—Mgxi | 110.86 (5) |
Gavi—Ni—Nivi | 106.29 (2) | Nixvi—Mg—Mgxii | 123.22 (4) |
Gaiv—Ni—Nivi | 57.419 (16) | Nixvii—Mg—Mgxii | 60.01 (3) |
Gaii—Ni—Nivi | 57.419 (16) | Nivi—Mg—Mgxii | 101.28 (4) |
Gavi—Ni—Niiv | 57.419 (16) | Ni—Mg—Mgxii | 55.48 (3) |
Gaiv—Ni—Niiv | 106.29 (2) | Gaiv—Mg—Mgxii | 58.733 (7) |
Gaii—Ni—Niiv | 57.419 (16) | Gaii—Mg—Mgxii | 102.73 (6) |
Nivi—Ni—Niiv | 60.0 | Mgxviii—Mg—Mgxii | 110.86 (5) |
Gavi—Ni—Niii | 57.419 (16) | Mgxix—Mg—Mgxii | 155.83 (7) |
Gaiv—Ni—Niii | 57.419 (16) | Mgxi—Mg—Mgxii | 63.65 (8) |
Gaii—Ni—Niii | 106.29 (2) | Nixvi—Mg—Mgxx | 54.71 (3) |
Nivi—Ni—Niii | 60.0 | Nixvii—Mg—Mgxx | 114.56 (4) |
Niiv—Ni—Niii | 60.0 | Nivi—Mg—Mgxx | 149.118 (6) |
Gavi—Ni—Mgxi | 123.895 (18) | Ni—Mg—Mgxx | 113.29 (2) |
Gaiv—Ni—Mgxi | 123.895 (18) | Gaiv—Mg—Mgxx | 148.734 (7) |
Gaii—Ni—Mgxi | 67.13 (4) | Gaii—Mg—Mgxx | 98.84 (2) |
Nivi—Ni—Mgxi | 114.56 (4) | Mgxviii—Mg—Mgxx | 145.43 (2) |
Niiv—Ni—Mgxi | 114.56 (4) | Mgxix—Mg—Mgxx | 107.22 (5) |
Niii—Ni—Mgxi | 173.42 (4) | Mgxi—Mg—Mgxx | 58.17 (4) |
Gavi—Ni—Mgxii | 123.895 (18) | Mgxii—Mg—Mgxx | 90.0 |
Gaiv—Ni—Mgxii | 67.13 (4) | Nixvi—Mg—Mgxxi | 114.56 (4) |
Gaii—Ni—Mgxii | 123.895 (18) | Nixvii—Mg—Mgxxi | 54.71 (3) |
Nivi—Ni—Mgxii | 114.56 (4) | Nivi—Mg—Mgxxi | 149.118 (6) |
Niiv—Ni—Mgxii | 173.42 (4) | Ni—Mg—Mgxxi | 113.29 (2) |
Niii—Ni—Mgxii | 114.56 (4) | Gaiv—Mg—Mgxxi | 98.84 (2) |
Mgxi—Ni—Mgxii | 70.59 (7) | Gaii—Mg—Mgxxi | 148.734 (7) |
Gavi—Ni—Mgxiii | 67.13 (4) | Mgxviii—Mg—Mgxxi | 107.22 (5) |
Gaiv—Ni—Mgxiii | 123.895 (18) | Mgxix—Mg—Mgxxi | 145.43 (2) |
Gaii—Ni—Mgxiii | 123.895 (18) | Mgxi—Mg—Mgxxi | 90.0 |
Nivi—Ni—Mgxiii | 173.42 (4) | Mgxii—Mg—Mgxxi | 58.17 (4) |
Niiv—Ni—Mgxiii | 114.56 (4) | Mgxx—Mg—Mgxxi | 60.0 |
Symmetry codes: (i) −x, y−1/4, z−1/4; (ii) −x+1/4, −y+1/4, z; (iii) x−1/4, y−1/4, −z; (iv) −x+1/4, y, −z+1/4; (v) x−1/4, −y, z−1/4; (vi) x, −y+1/4, −z+1/4; (vii) y−1/4, −z, x−1/4; (viii) z, −x+1/4, −y+1/4; (ix) −z, x−1/4, y−1/4; (x) −y+1/4, z, −x+1/4; (xi) y+1/4, −z+1/2, x−1/4; (xii) −z+1/2, x−1/4, y+1/4; (xiii) x−1/4, y+1/4, −z+1/2; (xiv) z, x, y; (xv) y, z, x; (xvi) x+1/4, −y+1/2, z−1/4; (xvii) x+1/4, y−1/4, −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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