Information card for entry 4003140

Structure parameters

• Formula: H2 K Mg O5 P
• Calculated formula: H2 K Mg O5 P
• Title of publication: KMg(H2O)PO4: A Deep-Ultraviolet Transparent Nonlinear Optical Material Derived from KTiOPO4
• Authors of publication: Bai, Zhiyong; Hu, Chun-Li; Liu, Lehui; Zhang, Lizhen; Huang, Yisheng; Yuan, Feifei; Lin, Zhoubin
• Journal of publication: Chemistry of Materials
• Year of publication: 2019
• Journal volume: 31
• Journal issue: 22
• Pages of publication: 9540
• a: 5.5672 ± 0.0001 Å
• b: 8.2191 ± 0.0002 Å
• c: 4.7841 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 218.908 ± 0.008 ų
• Cell temperature: 224 ± 8 K
• Ambient diffraction temperature: 224 ± 8 K
• Number of distinct elements: 5
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0184
• Residual factor for significantly intense reflections: 0.0183
• Weighted residual factors for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections included in the refinement: 0.046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No