Information card for entry 4002064

Structure parameters

• Formula: Cu5.6 Se8 Sn2.4
• Calculated formula: Cu5.598 Se8 Sn2.402
• Title of publication: Crystal Structure and Physical Properties of Ternary Phases around the Composition Cu5Sn2Se7with Tetrahedral Coordination of Atoms
• Authors of publication: Fan, Jing; Carrillo-Cabrera, Wilder; Antonyshyn, Iryna; Prots, Yurii; Veremchuk, Igor; Schnelle, Walter; Drathen, Christina; Chen, Lidong; Grin, Yuri
• Journal of publication: Chemistry of Materials
• Year of publication: 2014
• Journal volume: 26
• Journal issue: 18
• Pages of publication: 5244
• a: 5.74738 ± 0.00001 Å
• b: 5.74738 ± 0.00001 Å
• c: 11.45583 ± 0.00003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 378.413 ± 0.0014 ų
• Cell temperature: 873 K
• Ambient diffraction temperature: 873 K
• Number of distinct elements: 3
• Space group number: 121
• Hermann-Mauguin space group symbol: I -4 2 m
• Hall space group symbol: I -4 2
• Residual factor R(I) for significantly intense reflections: 0.0315
• Goodness-of-fit parameter for all reflections: 1.02
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.430459 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No