Information card for entry 4316676

Structure parameters

• Formula: As3 K7 P8 Se24
• Calculated formula: As3 K7 P8 Se24
• 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: 25.0706 ± 0.0003 Å
• b: 9.5948 ± 0.0001 Å
• c: 59.6227 ± 0.0009 Å
• α: 90°
• β: 93.384 ± 0.001°
• γ: 90°
• Cell volume: 14317.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0925
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No