Information card for entry 1560379

Structure parameters

• Common name: barium indium selenide (12/4/20)
• Chemical name: barium indium selenide (12/4/20)
• Formula: Ba12 In4 Se20
• Calculated formula: Ba12 In4 Se20
• Title of publication: When one becomes two: Ba12In4Se20, not quite isostructural to Ba12In4S19
• Authors of publication: Yin, Wenlong; Iyer, Abishek K.; Li, Chao; Yao, Jiyong; Mar, Arthur
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2017
• Journal volume: 253
• Pages of publication: 29 - 34
• a: 10.036 ± 0.0006 Å
• b: 10.036 ± 0.0006 Å
• c: 78.286 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6828.7 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No