Information card for entry 4314709

Structure parameters

• Formula: In4 K4 P6 S7.87 Se12.13
• Calculated formula: In4 K4 P6 S7.87 Se12.13
• Title of publication: Structural Diversity by Mixing Chalcogen Atoms in the Chalcophosphate System K/In/P/Q (Q = S, Se)
• Authors of publication: Alexander Rothenberger; Hsien-Hau Wang; DuckYoung Chung; Mercouri G. Kanatzidis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1144 - 1151
• a: 7.7709 ± 0.0006 Å
• b: 13.0007 ± 0.0011 Å
• c: 18.9382 ± 0.0014 Å
• α: 105.382 ± 0.006°
• β: 92.632 ± 0.006°
• γ: 91.91 ± 0.007°
• Cell volume: 1840.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1081
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No