Information card for entry 2204094

Structure parameters

• Formula: Cu Se6 Sm3
• Calculated formula: Cu Se6 Sm3
• Title of publication: An ordered polymorph of copper trisamarium hexaselenide, CuSm~3~Se~6~
• Authors of publication: Ijjaali, Ismail; Ibers, James A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: i89 - i90
• a: 7.1357 ± 0.001 Å
• b: 16.986 ± 0.003 Å
• c: 7.8957 ± 0.0012 Å
• α: 90°
• β: 90.585 ± 0.002°
• γ: 90°
• Cell volume: 957 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes