Information card for entry 2243247

Structure parameters

• Chemical name: Potassium phosphate heptahydrate
• Formula: D14 K3 O11 P
• Calculated formula: D14 K3 O11 P
• Title of publication: Crystal structure of the deuterated heptahydrate of potassium phosphate, K~3~PO~4~·7D~2~O
• Authors of publication: Weil, Matthias; Stöger, Berthold
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 2
• Pages of publication: 177 - 179
• a: 7.8325 ± 0.0007 Å
• b: 9.3406 ± 0.0008 Å
• c: 8.4471 ± 0.0007 Å
• α: 90°
• β: 108.727 ± 0.002°
• γ: 90°
• Cell volume: 585.27 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0167
• Residual factor for significantly intense reflections: 0.0156
• Weighted residual factors for significantly intense reflections: 0.0198
• Weighted residual factors for all reflections included in the refinement: 0.0201
• Goodness-of-fit parameter for significantly intense reflections: 1.03
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes