Information card for entry 7701360

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: 6.3441 ± 0.0003 Å
• b: 7.5949 ± 0.0003 Å
• c: 9.343 ± 0.0004 Å
• α: 90°
• β: 94.546 ± 0.004°
• γ: 90°
• Cell volume: 448.76 ± 0.03 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: 0.0214
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.0489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No