Information card for entry 4339178

Structure parameters

• Formula: Bi K9 P4 S16
• Calculated formula: Bi K9 P4 S16
• SMILES: [Bi]12(SP(=S)([S-])S1)(SP(=S)([S-])[S-])(SP(=S)([S-])[S-])SP(=S)([S-])S2.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+]
• 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: 18.306 ± 0.004 Å
• b: 8.926 ± 0.002 Å
• c: 9.71 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1586.6 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.106
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No