Information card for entry 2009611

Structure parameters

• Chemical name: pentapotassium sodium trihydrogenphosphate
• Formula: H3 K5 Na O12 P3
• Calculated formula: H3 K5 Na O12 P3
• SMILES: [K+].[K+].[K+].OP([O-])(=O)[O-].[O-]P(=O)([O-])O.[K+].O=P([O-])(O)[O-].[Na+].[K+]
• Title of publication: Isomorphous crystals: K~2~HPO~4~ and K~5~Na(HPO~4~)~3~
• Authors of publication: Lis, Tadeusz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 4
• Pages of publication: 484 - 487
• a: 22.402 ± 0.015 Å
• b: 9.979 ± 0.005 Å
• c: 5.822 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1301.5 ± 1.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0298
• Goodness-of-fit parameter for significantly intense reflections: 1.07
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No