Information card for entry 4331460

Structure parameters

• Formula: Cs P S4 Sn
• Calculated formula: Cs 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: 6.2031 ± 0.0005 Å
• b: 6.8416 ± 0.0005 Å
• c: 18.0468 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 765.89 ± 0.1 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 0.3 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P21/m(\a0\g)0s
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for significantly intense reflections: 1.78
• Goodness-of-fit parameter for all reflections included in the refinement: 1.45
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No