Information card for entry 4000031

Structure parameters

• Formula: Ba3 O3 S4 V2
• Calculated formula: Ba3 O3 S4 V2
• Title of publication: Synthesis and Structural Analysis of Ba3V2O3S4
• Authors of publication: Calvagna, Frank; Zhang, Jianhua; Li, Shoujian; Zheng, Chong
• Journal of publication: Chemistry of Materials
• Year of publication: 2001
• Journal volume: 13
• Journal issue: 2
• Pages of publication: 304 - 307
• a: 10.1661 ± 0.0006 Å
• b: 10.1661 ± 0.0006 Å
• c: 5.9306 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 530.81 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No