Information card for entry 4329960

Structure parameters

• Formula: K0.5 S2 Sn0.75 Zn0.25
• Calculated formula: K0.5 S2 Sn0.75 Zn0.25
• Title of publication: Phase-Change Materials Exhibiting Tristability: Interconverting Forms of Crystalline α-, β-, and Glassy K2ZnSn3S8
• Authors of publication: Zohreh Hassanzadeh Fard; Mercouri G. Kanatzidis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 7963 - 7965
• a: 13.126 ± 0.002 Å
• b: 13.126 ± 0.002 Å
• c: 13.126 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2261.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No