Information card for entry 8102980

Structure parameters

• Chemical name: sodium strontium monothiophosphate nonahydrate
• Formula: H18 Na O12 P S Sr
• Calculated formula: H18 Na O12 P S Sr
• SMILES: P([O-])(=S)([O-])[O-].[Na+].O.O.[Sr+2].O.O.O.O.O.O.O
• Title of publication: Crystal structure of sodium strontium monothiophosphate nonahydrate, NaSr[PO3S] · 9H2O
• Authors of publication: Mimoza Gjikaj
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 1
• Pages of publication: 1
• a: 10.9171 ± 0.0011 Å
• b: 10.9171 ± 0.0011 Å
• c: 10.9171 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1301.1 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No