Information card for entry 1561543

Structure parameters

• Formula: Cl Mo Na3 O4
• Calculated formula: Cl Mo Na3 O4
• SMILES: O=[Mo](=O)([O-])[O-].[Cl-].[Na+].[Na+].[Na+]
• Title of publication: Synthesis, structure and optical properties of two isotypic crystals, Na3MO4Cl (M=W, Mo)
• Authors of publication: Han, Shujuan; Bai, Chunyan; Zhang, Bingbing; Yang, Zhihua; Pan, Shilie
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2016
• Journal volume: 237
• Pages of publication: 14 - 18
• a: 7.4942 ± 0.0012 Å
• b: 7.4942 ± 0.0012 Å
• c: 5.3409 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 299.96 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 129
• Hermann-Mauguin space group symbol: P 4/n m m :2
• Hall space group symbol: -P 4a 2a
• Residual factor for all reflections: 0.0127
• Residual factor for significantly intense reflections: 0.0124
• Weighted residual factors for significantly intense reflections: 0.0333
• Weighted residual factors for all reflections included in the refinement: 0.0334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No