Information card for entry 1561910

Structure parameters

• Formula: Ba2 Cl Na S4 Sn
• Calculated formula: Ba2 Cl Na 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: 8.2162 ± 0.0001 Å
• b: 8.2162 ± 0.0001 Å
• c: 14.3022 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 965.48 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 140
• Hermann-Mauguin space group symbol: I 4/m c m
• Hall space group symbol: -I 4 2c
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No