Information card for entry 2236699

Structure parameters

• Chemical name: dibarium tritelluridocadmate
• Formula: Ba2 Cd Te3
• Calculated formula: Ba2 Cd Te3
• SMILES: [Cd]([Te])([Te])[Te][Cd]([Te])([Te])[Te].[Ba+2].[Ba+2].[Ba+2].[Ba+2]
• Title of publication: Redetermination of Ba~2~CdTe~3~ from single-crystal X-ray data
• Authors of publication: Yang, Min; Xia, Sheng-Qing; Tao, Xu-Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: i77
• a: 9.8405 ± 0.0002 Å
• b: 4.7502 ± 0.0001 Å
• c: 19.1008 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 892.85 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0393
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.0406
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes