Information card for entry 4003383

Structure parameters

• Formula: F H6 N Na O4 P
• Calculated formula: F H6 N Na O4 P
• SMILES: [NH4+].O=P([O-])([O-])F.[Na+].O
• Title of publication: Monofluorophosphates: A New Source of Deep-Ultraviolet Nonlinear Optical Materials
• Authors of publication: Xiong, Lin; Chen, Jie; Lu, Jing; Pan, Chun-Ya; Wu, Li-Ming
• Journal of publication: Chemistry of Materials
• Year of publication: 2018
• Journal volume: 30
• Journal issue: 21
• Pages of publication: 7823
• a: 4.9431 ± 0.0004 Å
• b: 9.02 ± 0.0007 Å
• c: 6.0536 ± 0.0005 Å
• α: 90°
• β: 90.797 ± 0.003°
• γ: 90°
• Cell volume: 269.88 ± 0.04 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0229
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.294
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No