Information card for entry 7701361

Structure parameters

• Formula: Li Mo O6 P
• Calculated formula: Li Mo O6 P
• Title of publication: Syntheses, Structures, Anomalous Phase Transition and Optical Properties of Two New Polymorphic α- and β-LiMoPO6
• Authors of publication: Liu, Haonan; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wu, Yicheng
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 12.1141 ± 0.0004 Å
• b: 8.9251 ± 0.0003 Å
• c: 8.7389 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 944.85 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0163
• Residual factor for significantly intense reflections: 0.0153
• Weighted residual factors for significantly intense reflections: 0.0345
• Weighted residual factors for all reflections included in the refinement: 0.0348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No