Information card for entry 7020839

Structure parameters

• Common name: PotassiumDihydrogenPhosphate
• Formula: H2 K O4 P
• Calculated formula: H2 K O4 P
• Title of publication: Structure of the high-pressure phase IV of KH2PO4 (KDP).
• Authors of publication: Cai, Weizhao; Katrusiak, Andrzej
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 4
• Pages of publication: 863 - 866
• a: 7.345 ± 0.005 Å
• b: 7.345 ± 0.005 Å
• c: 6.8756 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 370.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Cell measurement pressure: 1680000 kPa
• Number of distinct elements: 4
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No