Information card for entry 2101901

Structure parameters

• Formula: K3 Mo2 Na O8
• Calculated formula: K3 Mo2 Na O8
• SMILES: [Mo](=O)(=O)([O-])[O-].[Na+].[O-][Mo](=O)(=O)[O-].[K+].[K+].[K+]
• Title of publication: Phase Transition in K~3~Na(MoO~4~)~2~ and Determination of the Twinned Structures of K~3~Na(MoO~4~)~2~ and K~2.5~Na~1.5~(MoO~4~)~2~ at Room Temperature
• Authors of publication: Fábry, J.; Petrícek, V.; Vanek, P.; Císarová, I.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 596 - 603
• a: 10.4455 ± 0.0014 Å
• b: 6.0307 ± 0.0008 Å
• c: 15.24 ± 0.004 Å
• α: 90°
• β: 90 ± 0.02°
• γ: 90°
• Cell volume: 960 ± 0.3 ų
• Cell temperature: 290 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0362
• Goodness-of-fit parameter for all reflections: 1.16
• Goodness-of-fit parameter for significantly intense reflections: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No