Information card for entry 4331589

Structure parameters

• Common name: A-type trivacant alpha-Keggin ion
• Chemical name: Lacunary Keggin Ion
• Formula: Na15 Nb9 O62 P4
• Calculated formula: Na15 Nb9 O62 P4
• SMILES: [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].P1(=O)(O[Nb]234(=O)O[Nb]567(O[Nb]89(O2)(O[Nb]2%10%11(O[Nb]%12%13(O[Nb]%14(=O)([O]5=P5([O]3[Nb](O[Nb]3%15(O2)([O]5[Nb](O%14)(O%13)(OP(=O)(O3)[O-])(=O)O%15)=O)(O%10)(=O)(O1)O4)[O]9%11%12)(OP(=O)([O-])O6)O7)(O8)=O)=O)=O)=O)[O-].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Solid-State Structural Characterization of a Rigid Framework of Lacunary Heteropolyniobates
• Authors of publication: Nyman, May; Celestian, Aaron J.; Parise, John B.; Holland, Gregory P.; Alam, Todd M.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 3
• Pages of publication: 1043 - 1052
• a: 12.242 ± 0.002 Å
• b: 12.291 ± 0.003 Å
• c: 22.056 ± 0.004 Å
• α: 93.12 ± 0.03°
• β: 99.78 ± 0.03°
• γ: 119.84 ± 0.03°
• Cell volume: 2799.1 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.922 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No