Information card for entry 7126739

Structure parameters

• Formula: Be4 Cs4 Li O24 P7
• Calculated formula: Be4 Cs4 Li O24 P7
• Title of publication: M₄LiBe₄P₇O₂₄ and M₄Li(Li₃P)P₇O₂₄ (M = Cs, Rb): deep-ultraviolet nonlinear-optical phosphates with a tetrahedra-substituted paracelsian-like framework.
• Authors of publication: Chen, Yi-Gang; Yang, Chunyu; Wang, Fang; Guo, Yao; Jiang, Xingxing; Zhang, Xian-Ming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 61
• Pages of publication: 8639 - 8642
• a: 13.0892 ± 0.0004 Å
• b: 13.0889 ± 0.0004 Å
• c: 13.2528 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2270.51 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 17
• Hermann-Mauguin space group symbol: P 2 2 21
• Hall space group symbol: P 2c 2
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.0542
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No