Information card for entry 4327810

Structure parameters

• Formula: Ba Co S2
• Calculated formula: Ba Co S2
• Title of publication: Using High Pressure to Prepare Polymorphs of the Ba2Co1-xZnxS3 (0 <= x <= 1.0) Compounds
• Authors of publication: Francesco Mezzadri; Edmondo Gilioli; Gianluca Calestani; Andrea Migliori; Mark R. Harrison; David A. Headspith; M. Grazia Francesconi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 397 - 404
• a: 4.564 ± 0.001 Å
• b: 4.564 ± 0.001 Å
• c: 8.938 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 186.18 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 129
• Hermann-Mauguin space group symbol: P 4/n m m :2
• Hall space group symbol: -P 4a 2a
• Residual factor for all reflections: 0.0143
• Residual factor for significantly intense reflections: 0.0114
• Weighted residual factors for significantly intense reflections: 0.0252
• Weighted residual factors for all reflections included in the refinement: 0.0263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No