Information card for entry 1561913

Structure parameters

• Formula: Ba2 Cl Cs S4 Sn
• Calculated formula: Ba2 Cl Cs S4 Sn
• Title of publication: Four new chalcohalides, NaBa2SnS4Cl, KBa2SnS4Cl, KBa2SnS4Br and CsBa2SnS4Cl: Syntheses, crystal structures and optical properties
• Authors of publication: Li, Chao; Feng, Kai; Tu, Heng; Yao, Jiyong; Wu, Yicheng
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2015
• Journal volume: 227
• Pages of publication: 104 - 109
• a: 9.946 ± 0.002 Å
• b: 8.7928 ± 0.0018 Å
• c: 12.532 ± 0.003 Å
• α: 90°
• β: 90.75 ± 0.03°
• γ: 90°
• Cell volume: 1095.9 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No