Information card for entry 4314711

Structure parameters

• Formula: In3 K5 P6 Se19
• Calculated formula: In3 K5 P6 Se19
• 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: 7.6603 ± 0.001 Å
• b: 13.1854 ± 0.0016 Å
• c: 18.378 ± 0.003 Å
• α: 87.04 ± 0.01°
• β: 88.659 ± 0.011°
• γ: 82.025 ± 0.01°
• Cell volume: 1835.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1272
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.1745
• Weighted residual factors for all reflections included in the refinement: 0.2093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No