Information card for entry 2202295

Structure parameters

• Formula: H20 K4 Na2 O38 V10
• Calculated formula: H20 K4 Na2 O38 V10
• SMILES: [V]12345O[V]678([O]9%104[V]4%11%12%13O[V]%14%15%16(O[V]%17(O1)(O[V]1%18(O%14)([O]2[V]%10(O[V](O4)(O6)(O[V]29([O]3[V](O%17)(O%15)(=O)([O]%112)[O]5%13%16%18)(O7)=O)=O)([O]%121)(O8)=O)=O)=O)=O)=O.[K+].[K+].[K+].[K+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O
• Title of publication: Potassium‒sodium double salt of decavanadate, K~4~Na~2~[V~10~O~28~]·10H~2~O
• Authors of publication: Lee, Uk; Joo, Hea-Chung
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: i122 - i124
• a: 8.62 ± 0.001 Å
• b: 10.387 ± 0.001 Å
• c: 11.017 ± 0.002 Å
• α: 69.22 ± 0.01°
• β: 87.14 ± 0.01°
• γ: 66.12 ± 0.01°
• Cell volume: 838.2 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes