Information card for entry 4321901

Structure parameters

• Common name: BaCrS2
• Chemical name: Barium Chromium Disulfide
• Formula: Ba Cr S2
• Calculated formula: Ba Cr S2
• Title of publication: Synthesis and Structural Analysis of BaCrS2
• Authors of publication: Omar Fuentes; Chong Zheng; Catherine E. Check; Jianhua Zhang; Gerardo Chacon
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 1889 - 1893
• a: 4.2606 ± 0.0006 Å
• b: 4.7944 ± 0.0007 Å
• c: 9.4429 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 192.89 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 59
• Hermann-Mauguin space group symbol: P m m n :2
• Hall space group symbol: -P 2ab 2a
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for all reflections: 0.0831
• Weighted residual factors for significantly intense reflections: 0.0808
• Goodness-of-fit parameter for all reflections: 1.063
• Goodness-of-fit parameter for significantly intense reflections: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No