Information card for entry 4339177

Structure parameters

• Formula: Bi3 K3 P4 S16
• Calculated formula: Bi3 K3 P4 S16
• SMILES: [K+].S=P([S-])([S-])[S-].[Bi+3].[Bi+3].[S-]P(=S)([S-])[S-].[K+].[K+].[S-]P(=S)([S-])[S-].[Bi+3].S=P([S-])([S-])[S-]
• Title of publication: New potassium bismuth thiophosphates including the modulated K(1.5)Bi(2.5)(PS4)(3).
• Authors of publication: Gave, Matthew A.; Weliky, David P.; Kanatzidis, Mercouri G.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 26
• Pages of publication: 11063 - 11074
• a: 21.0116 ± 0.0008 Å
• b: 21.0116 ± 0.0008 Å
• c: 13.3454 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5891.8 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.122
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1771
• Weighted residual factors for all reflections included in the refinement: 0.2092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No