Information card for entry 1562955

Structure parameters

• Formula: Ba4 Cu In Se6
• Calculated formula: Ba4 Cu In Se6
• Title of publication: Syntheses, structures, and optical properties of Ba4MInSe6 (M=Cu, Ag)
• Authors of publication: Yin, Wenlong; Feng, Kai; Hao, Wenyu; Yao, Jiyong; Wu, Yicheng
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2012
• Journal volume: 192
• Pages of publication: 168 - 171
• a: 9.1181 ± 0.0018 Å
• b: 4.472 ± 0.0009 Å
• c: 17.681 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 721 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No