Information card for entry 7247567

Structure parameters

• Formula: As2 Cl3 La5 S9
• Calculated formula: As2 Cl3 La5 S9
• Title of publication: Visualizing the alignment of lone pair electrons in La3AsS5Br2 and La5As2S9Cl3 to form an acentric or centrosymmetric structure
• Authors of publication: Cicirello, Andrea; Swindle, Andrew; Wang, Jian
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 45
• Pages of publication: 6354 - 6360
• a: 7.0472 ± 0.0003 Å
• b: 7.1152 ± 0.0003 Å
• c: 37.1137 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1860.96 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No