Information card for entry 4504047

Structure parameters

• Formula: K Li8 Nb12 O52.5 Si
• Calculated formula: K Li8 Nb12 O52.5 Si
• 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: 20.341 ± 0.004 Å
• b: 10.735 ± 0.002 Å
• c: 21.438 ± 0.004 Å
• α: 90°
• β: 105.41 ± 0.03°
• γ: 90°
• Cell volume: 4512.9 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0928
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.49594 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No