Information card for entry 2312475

Structure parameters

• Chemical name: Magnesium nickel germanide
• Formula: Ge29.7 Mg22.3 Ni64
• Calculated formula: Ge29.704 Mg22.296 Ni64
• Title of publication: Crystal, electronic structure and hydrogenation properties of the Mg_5.57Ni₁₆Ge_7.43 cluster phase with a new type of polyhedron.
• Authors of publication: Pavlyuk, Nazar; Dmytriv, Grygoriy; Bondaruk, Alina; Ciesielski, Wojciech; Pavlyuk, Volodymyr
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 5
• a: 11.5036 ± 0.0006 Å
• b: 11.5036 ± 0.0006 Å
• c: 11.5036 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1522.3 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.0151
• Residual factor for significantly intense reflections: 0.0125
• Weighted residual factors for significantly intense reflections: 0.0266
• Weighted residual factors for all reflections included in the refinement: 0.0282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.247
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes