Information card for entry 1561119

Structure parameters

• Formula: Li O9 P3 Zn
• Calculated formula: Li O9 P3 Zn
• Title of publication: Crystal structures and theoretical studies of polyphosphate LiZnP3O9 for nonlinear optical applications
• Authors of publication: Xie, Zhiqing; Su, Xin; Ding, Hanqin; Li, Hongyi
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 262
• Pages of publication: 313 - 319
• a: 8.33 ± 0.003 Å
• b: 8.52 ± 0.003 Å
• c: 8.635 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 612.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No