Information card for entry 2009053

Structure parameters

• Formula: H16 Na2 O20 P4 Zn
• Calculated formula: H16 Na2 O20 P4 Zn
• SMILES: [Zn](OP(=O)(O)O)(OP(=O)(O)O)([OH2])(OP(=O)(O)O)(OP(=O)(O)O)[OH2].[Na+].[Na+].O.O
• Title of publication: A sodium zinc phosphate hydrate, Na~2~Zn(H~2~PO~4~)~4~^.^4H~2~O
• Authors of publication: Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 10
• Pages of publication: IUC9900113
• a: 7.255 ± 0.001 Å
• b: 10.741 ± 0.002 Å
• c: 11.115 ± 0.002 Å
• α: 90°
• β: 100.142 ± 0.014°
• γ: 90°
• Cell volume: 852.6 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No