Information card for entry 4345406

Structure parameters

• Formula: Ba Ge2 Ni2
• Calculated formula: Ba Ge2 Ni2
• Title of publication: First-Order Phase Transition in BaNi2Ge2 and the Influence of the Valence Electron Count on Distortion of the ThCr2Si2 Structure Type.
• Authors of publication: Hlukhyy, Viktor; Trots, Dmytro; Fässler, Thomas F
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 1173 - 1185
• a: 4.26654 ± 0.00008 Å
• b: 4.26654 ± 0.00008 Å
• c: 11.2544 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 204.868 ± 0.007 ų
• Cell temperature: 783 K
• Ambient diffraction temperature: 783 ± 2 K
• Number of distinct elements: 3
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor R(I) for significantly intense reflections: 5.8855
• Goodness-of-fit parameter for all reflections: 12.43
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.499966 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No