Information card for entry 7216768

Structure parameters

• Formula: K6 Mo2 O14 P2
• Calculated formula: K6 Mo2 O14 P2
• SMILES: [K+].[K+].[K+].[K+].O=[Mo]12(OP(=O)(O[Mo]3(OP(=O)(O2)O3)(=O)(=O)=O)O1)(=O)=O.[K+].[K+]
• Title of publication: K3MoPO7: the first molybdenum phosphate with edge-sharing MoO6 octahedra and PO4 tetrahedra
• Authors of publication: Luo, Siyang; Kang, Lei; Lin, Zheshuai; Chen, Chuangtian
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 52
• Pages of publication: 27122
• a: 13.99 ± 0.003 Å
• b: 5.86 ± 0.0012 Å
• c: 9.6157 ± 0.0019 Å
• α: 90°
• β: 111.68 ± 0.03°
• γ: 90°
• Cell volume: 732.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No