Information card for entry 2006288

Structure parameters

• Formula: Ba3 S7 Zr2
• Calculated formula: Ba3 S7 Zr2
• Title of publication: Ba~3~Zr~2~S~7~, the Low-Temperature Polymorph
• Authors of publication: Yi-Chung Hung; James C. Fettinger; Bryan W. Eichhorn
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 827 - 829
• a: 7.0565 ± 0.0007 Å
• b: 7.0565 ± 0.0007 Å
• c: 25.371 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1263.3 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 136
• Hermann-Mauguin space group symbol: P 42/m n m
• Hall space group symbol: -P 4n 2n
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for all reflections: 0.0937
• Weighted residual factors for significantly intense reflections: 0.0846
• Goodness-of-fit parameter for all reflections: 1.027
• Goodness-of-fit parameter for significantly intense reflections: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No