Information card for entry 4000792

Structure parameters

• Formula: Ba Mo2 O9 Te
• Calculated formula: Ba Mo2 O9 Te
• Title of publication: Polymorphism of BaTeMo2O9: A New Polar Polymorph and the Phase Transformation
• Authors of publication: Zhang, Junjie; Zhang, Zhonghan; Zhang, Weiguo; Zheng, Qingxin; Sun, Youxuan; Zhang, Chengqian; Tao, Xutang
• Journal of publication: Chemistry of Materials
• Year of publication: 2011
• Journal volume: 23
• Journal issue: 16
• Pages of publication: 3752
• a: 14.8683 ± 0.0002 Å
• b: 5.6636 ± 0.0001 Å
• c: 17.6849 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1489.21 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.022
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections included in the refinement: 0.0387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No