Information card for entry 4315783

Structure parameters

• Formula: In K6 P3 S13.5
• Calculated formula: In K6 P3 S13.5
• Title of publication: Synthesis of Alkali Metal Indium Thiophosphates Containing the Discrete Anions [In(PS4)(PS5)2]6- and [In(PS4)2(PS5)]6-
• Authors of publication: Alexander Rothenberger; Collin Morris; Mercouri G. Kanatzidis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5598 - 5602
• a: 10.8546 ± 0.0007 Å
• b: 11.0628 ± 0.0007 Å
• c: 12.8098 ± 0.0009 Å
• α: 65.878 ± 0.005°
• β: 86.249 ± 0.006°
• γ: 64.173 ± 0.005°
• Cell volume: 1251.74 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0984
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.315
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No