Information card for entry 1547274

Structure parameters

• Formula: Ba D1.56 Ge
• Calculated formula: Ba D1.55967 Ge
• Title of publication: Structural and Electronic Flexibility in Hydrides of Zintl Phases with Tetrel-Hydrogen and Tetrel-Tetrel Bonds
• Authors of publication: Auer, Henry; Schlegel, Robert; Oeckler, Oliver; Kohlmann, Holger
• Journal of publication: Angewandte Chemie International Edition
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 40
• Pages of publication: 12344 - 12347
• a: 15.804 ± 0.003 Å
• b: 4.2293 ± 0.0006 Å
• c: 25.855 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1728.1 ± 0.5 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor R(I) for significantly intense reflections: 3.03
• Goodness-of-fit parameter for all reflections: 2.14
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.79725 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No