Information card for entry 1101224

Structure parameters

• Chemical name: Sodium molybdenum tellurium oxide
• Formula: Mo3 Na2 O16 Te3
• Calculated formula: Mo3 Na2 O16 Te3
• SMILES: [Te]O[Mo]12(=O)(=O)O[Te]O[Mo](O[Te]O1)(O[Mo](O2)(=O)=O)(=O)(=O)O[Te]O[Mo]34(=O)(=O)O[Te]O[Mo](O[Te]O3)(O[Mo](O4)(=O)=O)(=O)(=O)[O].[Na+].[Na+].[Na+].[Na+].O.O.O.O
• Title of publication: Na~2~Te~3~Mo~3~O~16~: A New Molybdenum Tellurite with Second-Harmonic Generating and Pyroelectric Properties
• Authors of publication: Chi, Eun Ok; Ok, Kang Min; Porter, Yetta; Halasyamani, P. Shiv
• Journal of publication: Chemistry of Materials
• Year of publication: 2006
• Journal volume: 18
• Journal issue: 8
• Pages of publication: 2070 - 2074
• a: 7.3373 ± 0.001 Å
• b: 11.2668 ± 0.0016 Å
• c: 8.2369 ± 0.0018 Å
• α: 90°
• β: 97.387 ± 0.003°
• γ: 90°
• Cell volume: 675.3 ± 0.2 ų
• Cell temperature: 293 ± 0.2 K
• Ambient diffraction temperature: 293 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No