Information card for entry 4316680

Structure parameters

• Formula: As Cs5 P4 S12
• Calculated formula: As Cs5 P4 S12
• Title of publication: Arsenic-Containing Chalcophosphate Molecular Anions
• Authors of publication: Collin D. Morris; Mercouri G. Kanatzidis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9049 - 9054
• a: 13.5875 ± 0.0008 Å
• b: 13.5875 ± 0.0008 Å
• c: 7.2999 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1347.71 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 84
• Hermann-Mauguin space group symbol: P 42/m
• Hall space group symbol: -P 4c
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No