research papers
The ternary germanide Mg5.57Ni16Ge7.43 (cubic, space group Fmm, cF116) belongs to the structural family based on the Th6Mn23-type. The Ge1 and Ge2 atoms fully occupy the 4a (mm symmetry) and 24d (m.mm) sites, respectively. The Ni1 and Ni2 atoms both fully occupy two 32f sites (.3m symmetry). The Mg/Ge statistical mixture occupies the 24e site with 4m.m symmetry. The structure of the title compound contains a three-core-shell cluster. At (0,0,0), there is a Ge1 atom which is surrounded by eight Ni atoms at the vertices of a cube and consequently six Mg atoms at the vertices of an octahedron. These surrounded eight Ni and six Mg atoms form a [Ge1Ni8(Mg/Ge)6] rhombic dodecahedron with a coordination number of 14. The [GeNi8(Mg/Ge)6] rhombic dodecahedron is encapsulated within the [Ni24] rhombicuboctahedron, which is again encapsulated within an [Ni32(Mg/Ge)24] pentacontatetrahedron; thus, the three-core-shell cluster [GeNi8(Mg/Ge)6@Ni24@Ni32(Mg/Ge)24] results. The pentacontatetrahedron is a new representative of Pavlyuk's polyhedra group based on pentagonal, tetragonal and trigonal faces. The dominance of the metallic type of bonding between atoms in the Mg5.57Ni16Ge7.43 structure is confirmed by the results of the electronic structure calculations. The hydrogen sorption capacity of this intermetallic at 570 K reaches 0.70 wt% H2.
Keywords: crystal structure; electronic structure; clusters; convex polyhedra; intermetallics; hydride; ternary; germanide; hydrogenation.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S2053229624003140/yp3234sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S2053229624003140/yp3234Isup2.hkl |
CCDC reference: 2347669
Computing details top
Magnesium nickel germanide top
Crystal data top
Mg5.57Ni16Ge7.43 | Mo Kα radiation, λ = 0.71073 Å |
Mr = 6454.98 | Cell parameters from 131 reflections |
Cubic, Fm3m | θ = 3.1–28.3° |
a = 11.5036 (6) Å | µ = 33.85 mm−1 |
V = 1522.3 (2) Å3 | T = 293 K |
Z = 1 | Prism, metallic light grey |
F(000) = 3010.1 | 0.06 × 0.05 × 0.03 mm |
Dx = 7.041 Mg m−3 |
Data collection top
Oxford Diffraction Xcalibur3 CCD diffractometer | 120 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.074 |
ω scans | θmax = 28.3°, θmin = 3.1° |
Absorption correction: analytical (CrysAlis RED; Oxford Diffraction, 2008) | h = −15→15 |
Tmin = 0.470, Tmax = 0.683 | k = −15→15 |
12619 measured reflections | l = −15→15 |
131 independent reflections |
Refinement top
Refinement on F2 | 14 parameters |
Least-squares matrix: full | 0 restraints |
R[F2 > 2σ(F2)] = 0.013 | w = 1/[σ2(Fo2) + 35.3811P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.028 | (Δ/σ)max < 0.001 |
S = 1.25 | Δρmax = 0.63 e Å−3 |
131 reflections | Δρmin = −0.63 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) | |
Ge1 | 0.0000 | 0.0000 | 0.0000 | 0.0040 (4) | |
Ge2 | 0.0000 | 0.2500 | 0.2500 | 0.00442 (18) | |
Ni1 | 0.33129 (4) | 0.33129 (4) | 0.33129 (4) | 0.00491 (19) | |
Ni2 | 0.11860 (4) | 0.11860 (4) | 0.11860 (4) | 0.00509 (19) | |
Mg | 0.2959 (2) | 0.0000 | 0.0000 | 0.0048 (4) | 0.929 (4) |
Ge | 0.2959 (2) | 0.0000 | 0.0000 | 0.0048 (4) | 0.071 (4) |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Ge1 | 0.0040 (4) | 0.0040 (4) | 0.0040 (4) | 0.000 | 0.000 | 0.000 |
Ge2 | 0.0039 (4) | 0.0047 (2) | 0.0047 (2) | 0.000 | 0.000 | 0.0002 (3) |
Ni1 | 0.00491 (19) | 0.00491 (19) | 0.00491 (19) | 0.00057 (18) | 0.00057 (18) | 0.00057 (18) |
Ni2 | 0.00509 (19) | 0.00509 (19) | 0.00509 (19) | −0.00015 (18) | −0.00015 (18) | −0.00015 (18) |
Mg | 0.0073 (10) | 0.0035 (6) | 0.0035 (6) | 0.000 | 0.000 | 0.000 |
Ge | 0.0073 (10) | 0.0035 (6) | 0.0035 (6) | 0.000 | 0.000 | 0.000 |
Geometric parameters (Å, º) top
Ge1—Ni2 | 2.3631 (8) | Ni1—Ni1x | 2.6450 (14) |
Ge1—Ni2i | 2.3632 (8) | Ni1—Ni1xii | 2.6450 (14) |
Ge1—Ni2ii | 2.3632 (8) | Ni1—Gexx | 2.7747 (7) |
Ge1—Ni2iii | 2.3632 (8) | Ni1—Mgxxi | 2.7747 (7) |
Ge1—Ni2iv | 2.3632 (8) | Ni1—Mgxxii | 2.7747 (7) |
Ge1—Ni2v | 2.3632 (8) | Ni2—Ge2xvii | 2.5359 (3) |
Ge1—Ni2vi | 2.3632 (8) | Ni2—Ge2xv | 2.5359 (3) |
Ge1—Ni2vii | 2.3632 (8) | Ni2—Ni1ix | 2.5789 (7) |
Ge2—Ni1viii | 2.3485 (1) | Ni2—Ni1xii | 2.5789 (7) |
Ge2—Ni1ix | 2.3485 (1) | Ni2—Ni1x | 2.5789 (7) |
Ge2—Ni1x | 2.3485 (1) | Ni2—Ni2ii | 2.7288 (9) |
Ge2—Ni1xi | 2.3485 (1) | Ni2—Ni2vi | 2.7288 (9) |
Ge2—Ni2ii | 2.5359 (3) | Ni2—Ni2iv | 2.7288 (9) |
Ge2—Ni2xii | 2.5359 (3) | Ni2—Gexvii | 2.8075 (17) |
Ge2—Ni2xiii | 2.5359 (3) | Ni2—Gexv | 2.8075 (17) |
Ge2—Ni2 | 2.5359 (3) | Mg—Ni1xii | 2.7747 (7) |
Ge2—Gexiv | 2.9239 (4) | Mg—Ni1xxiii | 2.7747 (7) |
Ge2—Mgxv | 2.9239 (4) | Mg—Ni1xxiv | 2.7747 (7) |
Ge2—Mgxvi | 2.9239 (4) | Mg—Ni1xxv | 2.7747 (7) |
Ge2—Mgxvii | 2.9239 (4) | Mg—Ni2vii | 2.8075 (17) |
Ni1—Ge2xviii | 2.3485 (1) | Mg—Ni2vi | 2.8075 (17) |
Ni1—Ge2x | 2.3485 (1) | Mg—Ni2iv | 2.8075 (17) |
Ni1—Ge2xix | 2.3485 (1) | Mg—Ge2xxvi | 2.9239 (4) |
Ni1—Ni2x | 2.5788 (7) | Mg—Ge2xxvii | 2.9239 (4) |
Ni1—Ni2xii | 2.5788 (7) | Mg—Ge2xv | 2.9239 (4) |
Ni1—Ni2ix | 2.5788 (7) | Mg—Ge2xvii | 2.9239 (4) |
Ni1—Ni1ix | 2.6450 (14) | ||
Ni2—Ge1—Ni2i | 180.00 (4) | Ni1x—Ni1—Mgxxi | 113.00 (4) |
Ni2—Ge1—Ni2ii | 70.5 | Ni1xii—Ni1—Mgxxi | 171.56 (5) |
Ni2i—Ge1—Ni2ii | 109.5 | Gexx—Ni1—Mgxxi | 73.5 |
Ni2—Ge1—Ni2iii | 109.5 | Ge2xviii—Ni1—Mgxxii | 69.03 (2) |
Ni2i—Ge1—Ni2iii | 70.5 | Ge2x—Ni1—Mgxxii | 69.03 (2) |
Ni2ii—Ge1—Ni2iii | 70.5 | Ge2xix—Ni1—Mgxxii | 132.71 (6) |
Ni2—Ge1—Ni2iv | 70.5 | Ni2x—Ni1—Mgxxii | 122.689 (18) |
Ni2i—Ge1—Ni2iv | 109.5 | Ni2xii—Ni1—Mgxxii | 122.689 (18) |
Ni2ii—Ge1—Ni2iv | 109.5 | Ni2ix—Ni1—Mgxxii | 63.13 (5) |
Ni2iii—Ge1—Ni2iv | 180.00 (6) | Ni1ix—Ni1—Mgxxii | 171.56 (5) |
Ni2—Ge1—Ni2v | 109.5 | Ni1x—Ni1—Mgxxii | 113.00 (4) |
Ni2i—Ge1—Ni2v | 70.529 (1) | Ni1xii—Ni1—Mgxxii | 113.00 (4) |
Ni2ii—Ge1—Ni2v | 70.5 | Gexx—Ni1—Mgxxii | 73.5 |
Ni2iii—Ge1—Ni2v | 109.5 | Mgxxi—Ni1—Mgxxii | 73.51 (7) |
Ni2iv—Ge1—Ni2v | 70.5 | Ge1—Ni2—Ge2xvii | 112.187 (17) |
Ni2—Ge1—Ni2vi | 70.5 | Ge1—Ni2—Ge2 | 112.187 (17) |
Ni2i—Ge1—Ni2vi | 109.5 | Ge2xvii—Ni2—Ge2 | 106.624 (19) |
Ni2ii—Ge1—Ni2vi | 109.5 | Ge1—Ni2—Ge2xv | 112.187 (17) |
Ni2iii—Ge1—Ni2vi | 70.5 | Ge2xvii—Ni2—Ge2xv | 106.624 (19) |
Ni2iv—Ge1—Ni2vi | 109.5 | Ge2—Ni2—Ge2xv | 106.624 (19) |
Ni2v—Ge1—Ni2vi | 180.00 (6) | Ge1—Ni2—Ni1ix | 143.69 (2) |
Ni2—Ge1—Ni2vii | 109.5 | Ge2xvii—Ni2—Ni1ix | 54.658 (12) |
Ni2i—Ge1—Ni2vii | 70.5 | Ge2—Ni2—Ni1ix | 54.658 (12) |
Ni2ii—Ge1—Ni2vii | 180.00 (4) | Ge2xv—Ni2—Ni1ix | 104.12 (3) |
Ni2iii—Ge1—Ni2vii | 109.5 | Ge1—Ni2—Ni1xii | 143.69 (2) |
Ni2iv—Ge1—Ni2vii | 70.5 | Ge2xvii—Ni2—Ni1xii | 54.658 (12) |
Ni2v—Ge1—Ni2vii | 109.5 | Ge2—Ni2—Ni1xii | 104.12 (3) |
Ni2vi—Ge1—Ni2vii | 70.5 | Ge2xv—Ni2—Ni1xii | 54.658 (12) |
Ni1viii—Ge2—Ni1ix | 180.0 | Ni1ix—Ni2—Ni1xii | 61.70 (3) |
Ni1viii—Ge2—Ni1x | 111.46 (4) | Ge1—Ni2—Ni1x | 143.69 (2) |
Ni1ix—Ge2—Ni1x | 68.54 (4) | Ge2xvii—Ni2—Ni1x | 104.12 (3) |
Ni1viii—Ge2—Ni1xi | 68.54 (4) | Ge2—Ni2—Ni1x | 54.658 (12) |
Ni1ix—Ge2—Ni1xi | 111.46 (4) | Ge2xv—Ni2—Ni1x | 54.658 (12) |
Ni1x—Ge2—Ni1xi | 180.0 | Ni1ix—Ni2—Ni1x | 61.70 (3) |
Ni1viii—Ge2—Ni2ii | 63.601 (15) | Ni1xii—Ni2—Ni1x | 61.70 (3) |
Ni1ix—Ge2—Ni2ii | 116.399 (15) | Ge1—Ni2—Ni2ii | 54.7 |
Ni1x—Ge2—Ni2ii | 116.399 (15) | Ge2xvii—Ni2—Ni2ii | 126.587 (8) |
Ni1xi—Ge2—Ni2ii | 63.601 (15) | Ge2—Ni2—Ni2ii | 57.451 (17) |
Ni1viii—Ge2—Ni2xii | 116.399 (15) | Ge2xv—Ni2—Ni2ii | 126.587 (8) |
Ni1ix—Ge2—Ni2xii | 63.601 (15) | Ni1ix—Ni2—Ni2ii | 102.914 (14) |
Ni1x—Ge2—Ni2xii | 63.601 (15) | Ni1xii—Ni2—Ni2ii | 161.57 (2) |
Ni1xi—Ge2—Ni2xii | 116.399 (15) | Ni1x—Ni2—Ni2ii | 102.914 (14) |
Ni2ii—Ge2—Ni2xii | 180.00 (3) | Ge1—Ni2—Ni2vi | 54.7 |
Ni1viii—Ge2—Ni2xiii | 63.601 (15) | Ge2xvii—Ni2—Ni2vi | 126.587 (8) |
Ni1ix—Ge2—Ni2xiii | 116.399 (15) | Ge2—Ni2—Ni2vi | 126.587 (8) |
Ni1x—Ge2—Ni2xiii | 116.399 (15) | Ge2xv—Ni2—Ni2vi | 57.451 (17) |
Ni1xi—Ge2—Ni2xiii | 63.601 (15) | Ni1ix—Ni2—Ni2vi | 161.57 (2) |
Ni2ii—Ge2—Ni2xiii | 114.90 (3) | Ni1xii—Ni2—Ni2vi | 102.914 (14) |
Ni2xii—Ge2—Ni2xiii | 65.10 (3) | Ni1x—Ni2—Ni2vi | 102.914 (14) |
Ni1viii—Ge2—Ni2 | 116.398 (15) | Ni2ii—Ni2—Ni2vi | 90.0 |
Ni1ix—Ge2—Ni2 | 63.602 (15) | Ge1—Ni2—Ni2iv | 54.7 |
Ni1x—Ge2—Ni2 | 63.602 (15) | Ge2xvii—Ni2—Ni2iv | 57.451 (17) |
Ni1xi—Ge2—Ni2 | 116.398 (15) | Ge2—Ni2—Ni2iv | 126.587 (8) |
Ni2ii—Ge2—Ni2 | 65.10 (3) | Ge2xv—Ni2—Ni2iv | 126.587 (8) |
Ni2xii—Ge2—Ni2 | 114.90 (3) | Ni1ix—Ni2—Ni2iv | 102.914 (14) |
Ni2xiii—Ge2—Ni2 | 180.0 | Ni1xii—Ni2—Ni2iv | 102.914 (14) |
Ni1viii—Ge2—Gexiv | 117.61 (2) | Ni1x—Ni2—Ni2iv | 161.57 (2) |
Ni1ix—Ge2—Gexiv | 62.39 (2) | Ni2ii—Ni2—Ni2iv | 90.0 |
Ni1x—Ge2—Gexiv | 117.61 (2) | Ni2vi—Ni2—Ni2iv | 90.0 |
Ni1xi—Ge2—Gexiv | 62.39 (2) | Ge1—Ni2—Gexvii | 81.85 (4) |
Ni2ii—Ge2—Gexiv | 118.60 (4) | Ge2xvii—Ni2—Gexvii | 165.96 (5) |
Ni2xii—Ge2—Gexiv | 61.40 (4) | Ge2—Ni2—Gexvii | 66.123 (16) |
Ni2xiii—Ge2—Gexiv | 61.40 (4) | Ge2xv—Ni2—Gexvii | 66.123 (16) |
Ni2—Ge2—Gexiv | 118.60 (4) | Ni1ix—Ni2—Gexvii | 114.04 (3) |
Ni1viii—Ge2—Mgxv | 117.61 (2) | Ni1xii—Ni2—Gexvii | 114.04 (3) |
Ni1ix—Ge2—Mgxv | 62.39 (2) | Ni1x—Ni2—Gexvii | 61.84 (4) |
Ni1x—Ge2—Mgxv | 117.61 (2) | Ni2ii—Ni2—Gexvii | 60.92 (2) |
Ni1xi—Ge2—Mgxv | 62.39 (2) | Ni2vi—Ni2—Gexvii | 60.92 (2) |
Ni2ii—Ge2—Mgxv | 61.40 (4) | Ni2iv—Ni2—Gexvii | 136.59 (4) |
Ni2xii—Ge2—Mgxv | 118.60 (4) | Ge1—Ni2—Gexv | 81.85 (4) |
Ni2xiii—Ge2—Mgxv | 118.60 (4) | Ge2xvii—Ni2—Gexv | 66.123 (16) |
Ni2—Ge2—Mgxv | 61.40 (4) | Ge2—Ni2—Gexv | 66.123 (16) |
Gexiv—Ge2—Mgxv | 69.2 | Ge2xv—Ni2—Gexv | 165.96 (5) |
Ni1viii—Ge2—Mgxvi | 62.39 (2) | Ni1ix—Ni2—Gexv | 61.84 (4) |
Ni1ix—Ge2—Mgxvi | 117.61 (2) | Ni1xii—Ni2—Gexv | 114.04 (3) |
Ni1x—Ge2—Mgxvi | 62.39 (2) | Ni1x—Ni2—Gexv | 114.04 (3) |
Ni1xi—Ge2—Mgxvi | 117.61 (2) | Ni2ii—Ni2—Gexv | 60.92 (2) |
Ni2ii—Ge2—Mgxvi | 118.60 (4) | Ni2vi—Ni2—Gexv | 136.59 (4) |
Ni2xii—Ge2—Mgxvi | 61.40 (4) | Ni2iv—Ni2—Gexv | 60.92 (2) |
Ni2xiii—Ge2—Mgxvi | 61.40 (4) | Gexvii—Ni2—Gexv | 118.025 (17) |
Ni2—Ge2—Mgxvi | 118.60 (4) | Ni1xii—Mg—Ni1xxiii | 163.12 (10) |
Gexiv—Ge2—Mgxvi | 110.8 | Ni1xii—Mg—Ni1xxiv | 88.766 (14) |
Mgxv—Ge2—Mgxvi | 180.0 | Ni1xxiii—Mg—Ni1xxiv | 88.766 (14) |
Ni1viii—Ge2—Mgxvii | 62.39 (2) | Ni1xii—Mg—Ni1xxv | 88.766 (14) |
Ni1ix—Ge2—Mgxvii | 117.61 (2) | Ni1xxiii—Mg—Ni1xxv | 88.766 (14) |
Ni1x—Ge2—Mgxvii | 62.39 (2) | Ni1xxiv—Mg—Ni1xxv | 163.12 (10) |
Ni1xi—Ge2—Mgxvii | 117.61 (2) | Ni1xii—Mg—Ni2 | 55.03 (2) |
Ni2ii—Ge2—Mgxvii | 61.40 (4) | Ni1xxiii—Mg—Ni2 | 141.85 (8) |
Ni2xii—Ge2—Mgxvii | 118.60 (4) | Ni1xxiv—Mg—Ni2 | 96.12 (3) |
Ni2xiii—Ge2—Mgxvii | 118.60 (4) | Ni1xxv—Mg—Ni2 | 96.12 (3) |
Ni2—Ge2—Mgxvii | 61.40 (4) | Ni1xii—Mg—Ni2vii | 141.85 (8) |
Gexiv—Ge2—Mgxvii | 180.0 | Ni1xxiii—Mg—Ni2vii | 55.03 (2) |
Mgxv—Ge2—Mgxvii | 110.80 (9) | Ni1xxiv—Mg—Ni2vii | 96.12 (3) |
Mgxvi—Ge2—Mgxvii | 69.20 (9) | Ni1xxv—Mg—Ni2vii | 96.12 (3) |
Ge2xviii—Ni1—Ge2x | 119.970 (1) | Ni2—Mg—Ni2vii | 86.83 (7) |
Ge2xviii—Ni1—Ge2xix | 119.970 (1) | Ni1xii—Mg—Ni2vi | 96.12 (3) |
Ge2x—Ni1—Ge2xix | 119.970 (1) | Ni1xxiii—Mg—Ni2vi | 96.12 (3) |
Ge2xviii—Ni1—Ni2x | 164.15 (4) | Ni1xxiv—Mg—Ni2vi | 141.85 (8) |
Ge2x—Ni1—Ni2x | 61.740 (4) | Ni1xxv—Mg—Ni2vi | 55.03 (2) |
Ge2xix—Ni1—Ni2x | 61.740 (4) | Ni2—Mg—Ni2vi | 58.15 (4) |
Ge2xviii—Ni1—Ni2xii | 61.740 (4) | Ni2vii—Mg—Ni2vi | 58.15 (4) |
Ge2x—Ni1—Ni2xii | 164.15 (4) | Ni1xii—Mg—Ni2iv | 96.12 (3) |
Ge2xix—Ni1—Ni2xii | 61.740 (4) | Ni1xxiii—Mg—Ni2iv | 96.12 (3) |
Ni2x—Ni1—Ni2xii | 111.970 (18) | Ni1xxiv—Mg—Ni2iv | 55.03 (2) |
Ge2xviii—Ni1—Ni2ix | 61.740 (4) | Ni1xxv—Mg—Ni2iv | 141.85 (8) |
Ge2x—Ni1—Ni2ix | 61.740 (4) | Ni2—Mg—Ni2iv | 58.15 (4) |
Ge2xix—Ni1—Ni2ix | 164.15 (4) | Ni2vii—Mg—Ni2iv | 58.15 (4) |
Ni2x—Ni1—Ni2ix | 111.970 (18) | Ni2vi—Mg—Ni2iv | 86.83 (7) |
Ni2xii—Ni1—Ni2ix | 111.970 (18) | Ni1xii—Mg—Ge2xxvi | 135.598 (4) |
Ge2xviii—Ni1—Ni1ix | 107.624 (17) | Ni1xxiii—Mg—Ge2xxvi | 48.589 (5) |
Ge2x—Ni1—Ni1ix | 107.624 (17) | Ni1xxiv—Mg—Ge2xxvi | 48.589 (5) |
Ge2xix—Ni1—Ni1ix | 55.73 (2) | Ni1xxv—Mg—Ge2xxvi | 135.598 (4) |
Ni2x—Ni1—Ni1ix | 59.148 (17) | Ni2—Mg—Ge2xxvi | 110.29 (6) |
Ni2xii—Ni1—Ni1ix | 59.148 (17) | Ni2vii—Mg—Ge2xxvi | 52.47 (2) |
Ni2ix—Ni1—Ni1ix | 108.43 (2) | Ni2vi—Mg—Ge2xxvi | 110.29 (6) |
Ge2xviii—Ni1—Ni1x | 55.73 (2) | Ni2iv—Mg—Ge2xxvi | 52.47 (2) |
Ge2x—Ni1—Ni1x | 107.624 (17) | Ni1xii—Mg—Ge2xxvii | 135.598 (4) |
Ge2xix—Ni1—Ni1x | 107.624 (17) | Ni1xxiii—Mg—Ge2xxvii | 48.589 (5) |
Ni2x—Ni1—Ni1x | 108.43 (2) | Ni1xxiv—Mg—Ge2xxvii | 135.598 (4) |
Ni2xii—Ni1—Ni1x | 59.148 (17) | Ni1xxv—Mg—Ge2xxvii | 48.589 (5) |
Ni2ix—Ni1—Ni1x | 59.148 (17) | Ni2—Mg—Ge2xxvii | 110.29 (6) |
Ni1ix—Ni1—Ni1x | 60.0 | Ni2vii—Mg—Ge2xxvii | 52.47 (2) |
Ge2xviii—Ni1—Ni1xii | 107.624 (17) | Ni2vi—Mg—Ge2xxvii | 52.47 (2) |
Ge2x—Ni1—Ni1xii | 55.73 (2) | Ni2iv—Mg—Ge2xxvii | 110.29 (6) |
Ge2xix—Ni1—Ni1xii | 107.624 (17) | Ge2xxvi—Mg—Ge2xxvii | 88.132 (16) |
Ni2x—Ni1—Ni1xii | 59.148 (17) | Ni1xii—Mg—Ge2xv | 48.589 (5) |
Ni2xii—Ni1—Ni1xii | 108.43 (2) | Ni1xxiii—Mg—Ge2xv | 135.598 (4) |
Ni2ix—Ni1—Ni1xii | 59.148 (17) | Ni1xxiv—Mg—Ge2xv | 135.598 (4) |
Ni1ix—Ni1—Ni1xii | 60.0 | Ni1xxv—Mg—Ge2xv | 48.589 (5) |
Ni1x—Ni1—Ni1xii | 60.0 | Ni2—Mg—Ge2xv | 52.47 (2) |
Ge2xviii—Ni1—Gexx | 132.71 (6) | Ni2vii—Mg—Ge2xv | 110.29 (6) |
Ge2x—Ni1—Gexx | 69.03 (2) | Ni2vi—Mg—Ge2xv | 52.47 (2) |
Ge2xix—Ni1—Gexx | 69.03 (2) | Ni2iv—Mg—Ge2xv | 110.29 (6) |
Ni2x—Ni1—Gexx | 63.13 (5) | Ge2xxvi—Mg—Ge2xv | 159.20 (9) |
Ni2xii—Ni1—Gexx | 122.689 (18) | Ge2xxvii—Mg—Ge2xv | 88.132 (16) |
Ni2ix—Ni1—Gexx | 122.689 (18) | Ni1xii—Mg—Ge2xvii | 48.589 (5) |
Ni1ix—Ni1—Gexx | 113.00 (4) | Ni1xxiii—Mg—Ge2xvii | 135.598 (4) |
Ni1x—Ni1—Gexx | 171.56 (5) | Ni1xxiv—Mg—Ge2xvii | 48.589 (5) |
Ni1xii—Ni1—Gexx | 113.00 (4) | Ni1xxv—Mg—Ge2xvii | 135.598 (4) |
Ge2xviii—Ni1—Mgxxi | 69.03 (2) | Ni2—Mg—Ge2xvii | 52.47 (2) |
Ge2x—Ni1—Mgxxi | 132.71 (6) | Ni2vii—Mg—Ge2xvii | 110.29 (6) |
Ge2xix—Ni1—Mgxxi | 69.03 (2) | Ni2vi—Mg—Ge2xvii | 110.29 (6) |
Ni2x—Ni1—Mgxxi | 122.689 (18) | Ni2iv—Mg—Ge2xvii | 52.47 (2) |
Ni2xii—Ni1—Mgxxi | 63.13 (5) | Ge2xxvi—Mg—Ge2xvii | 88.132 (16) |
Ni2ix—Ni1—Mgxxi | 122.689 (18) | Ge2xxvii—Mg—Ge2xvii | 159.20 (9) |
Ni1ix—Ni1—Mgxxi | 113.00 (4) | Ge2xv—Mg—Ge2xvii | 88.132 (16) |
Symmetry codes: (i) −x, −y, −z; (ii) −x, y, z; (iii) −x, −y, z; (iv) x, y, −z; (v) −x, y, −z; (vi) x, −y, z; (vii) x, −y, −z; (viii) x−1/2, −y+1/2, z; (ix) −x+1/2, y, −z+1/2; (x) −x+1/2, −y+1/2, z; (xi) x−1/2, y, −z+1/2; (xii) x, −y+1/2, −z+1/2; (xiii) −x, −y+1/2, −z+1/2; (xiv) −y, −z+1/2, −x+1/2; (xv) z, x, y; (xvi) −z, −x+1/2, −y+1/2; (xvii) y, z, x; (xviii) −y+1/2, z, −x+1/2; (xix) z, −x+1/2, −y+1/2; (xx) y+1/2, z+1/2, x; (xxi) x, y+1/2, z+1/2; (xxii) z+1/2, x, y+1/2; (xxiii) x, y−1/2, z−1/2; (xxiv) x, −y+1/2, z−1/2; (xxv) x, y−1/2, −z+1/2; (xxvi) z, −x, −y; (xxvii) −y+1/2, z−1/2, −x. |