Information card for entry 4330848

Structure parameters

• Formula: K P S4 Sn
• Calculated formula: K P S4 Sn
• Title of publication: New Layered Tin(II) Thiophosphates ASnPS4 (A = K, Rb, Cs): Synthesis, Structure, Glass Formation, and the Modulated CsSnPS4
• Authors of publication: Santanu Banerjee; Christos D. Malliakas; Mercouri G. Kanatzidis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 11562 - 11573
• a: 6.6763 ± 0.0008 Å
• b: 11.9806 ± 0.0011 Å
• c: 10.997 ± 0.0014 Å
• α: 90°
• β: 127.347 ± 0.008°
• γ: 90°
• Cell volume: 699.27 ± 0.16 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 0.3 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.0482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No