Information card for entry 4345090

Structure parameters

• Formula: Cs6 Mg6 O54 P18
• Calculated formula: Cs6 Mg6 O54 P18
• Title of publication: Two Phosphates: Noncentrosymmetric Cs6Mg6(PO3)18 and Centrosymmetric Cs2MgZn2(P2O7)2.
• Authors of publication: Chen, Yi-Gang; Xing, Mei-Ling; Liu, Peng-Fei; Guo, Yao; Yang, Nan; Zhang, Xian-Ming
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 2
• Pages of publication: 845 - 851
• a: 7.7437 ± 0.0004 Å
• b: 34.1273 ± 0.0017 Å
• c: 10.1063 ± 0.0005 Å
• α: 90°
• β: 90.414 ± 0.002°
• γ: 90°
• Cell volume: 2670.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No