Information card for entry 4310977

Structure parameters

• Chemical name: tin phosphide bromide iodide
• Formula: Br6.05 I1.95 P19.1 Sn24
• Calculated formula: Br6.06 I1.94 P19.114 Sn24
• Title of publication: Unusually High Chemical Compressibility of Normally Rigid Type-I Clathrate Framework: Synthesis and Structural Study of Sn24P19.3BrxI8-x Solid Solution, the Prospective Thermoelectric Material
• Authors of publication: Kirill A. Kovnir; Julia V. Zaikina; Lyudmila N. Reshetova; Andrei V. Olenev; Evgeny V. Dikarev; Andrei V. Shevelkov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3230 - 3236
• a: 10.844 ± 0.001 Å
• b: 10.844 ± 0.001 Å
• c: 10.844 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1275.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 223
• Hermann-Mauguin space group symbol: P m -3 n
• Hall space group symbol: -P 4n 2 3
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No