Information card for entry 1562238

Structure parameters

• Formula: Ba3 Cl In S4
• Calculated formula: Ba3 Cl In S4
• SMILES: [S-][In]([S-])([S-])[S-].[Ba+2].[Ba+2].[Ba+2].[Cl-]
• Title of publication: Ba3GeS5 and Ba3InS4Cl: Interesting size effects originated from the tetrahedral anions
• Authors of publication: Pan, Ming-Yan; Xia, Sheng-Qing; Liu, Xiao-Cun; Tao, Xu-Tang
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2014
• Journal volume: 219
• Pages of publication: 74 - 79
• a: 8.3613 ± 0.0006 Å
• b: 8.3613 ± 0.0006 Å
• c: 14.3806 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1005.37 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0272
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections included in the refinement: 0.0421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No