Information card for entry 4314710

Structure parameters

• Formula: In K2 P2 S7
• Calculated formula: In K2 P2 S7
• 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: 14.114 ± 0.003 Å
• b: 10.607 ± 0.004 Å
• c: 8.582 ± 0.0017 Å
• α: 90°
• β: 109.01 ± 0.03°
• γ: 90°
• Cell volume: 1214.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.1664
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No