Information card for entry 4302743

Structure parameters

• Formula: Cu3 In2 O18 Se6
• Calculated formula: Cu3 In2 O18 Se6
• Title of publication: Explorations of New Phases in the GaIII/InIII-CuII-SeIV-O System
• Authors of publication: Fang Kong; Qi-Pu Lin; Fei-Yan Yi; Jiang-Gao Mao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6794 - 6803
• a: 5.4927 ± 0.0015 Å
• b: 19.278 ± 0.005 Å
• c: 9.2318 ± 0.0018 Å
• α: 90°
• β: 123.432 ± 0.011°
• γ: 90°
• Cell volume: 815.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No