Information card for entry 4504046

Structure parameters

• Common name: hexaniobate salt
• Formula: H30 K Li7 Nb6 O34
• Calculated formula: K Li7 Nb6 O34
• SMILES: [Nb]1234(O[Nb]567(O[Nb]89(O[Nb]%10%11(O[Nb]%12(O[Nb](O8)(O1)(=O)(O%10)[O]379%11%12)(O5)(=O)O4)(=O)O6)(=O)O2)=O)=O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[K+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+]
• Title of publication: Lithium Polyniobates. A Lindqvist-Supported Lithium−Water Adamantane Cluster and Conversion of Hexaniobate to a Discrete Keggin Complex
• Authors of publication: Anderson, Travis M.; Thoma, Steven G.; Bonhomme, François; Rodriguez, Mark A.; Park, Hyunsoo; Parise, John B.; Alam, Todd M.; Larentzos, James P.; Nyman, May
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 4
• Pages of publication: 719
• a: 9.859 ± 0.01 Å
• b: 17.5 ± 0.017 Å
• c: 17.384 ± 0.017 Å
• α: 90°
• β: 91.609 ± 0.016°
• γ: 90°
• Cell volume: 2998 ± 5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1499
• Weighted residual factors for all reflections included in the refinement: 0.1635
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No