Information card for entry 7703874

Structure parameters

• Formula: F H6 N O5 P Sb
• Calculated formula: F H6 N O5 P Sb
• Title of publication: Two-stage evolution from phosphate to sulfate of new KTP-type family members as UV nonlinear optical materials through chemical cosubstitution-oriented design.
• Authors of publication: He, Fangfang; Ge, Yuwei; Zhao, Xiaoyu; He, Jing; Huang, Ling; Gao, Daojiang; Bi, Jian; Wang, Xin; Zou, Guohong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 16
• Pages of publication: 5276 - 5282
• a: 6.5374 ± 0.0004 Å
• b: 6.5425 ± 0.0005 Å
• c: 8.3743 ± 0.0006 Å
• α: 68.272 ± 0.003°
• β: 68.966 ± 0.003°
• γ: 89.938 ± 0.004°
• Cell volume: 306.95 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No