Information card for entry 7703660

Structure parameters

• Formula: B Cs H2 O8 P2
• Calculated formula: B Cs H2 O8 P2
• Title of publication: CsBP₂O₆(OH)₂: a second-order NLO material with a unique borophosphate anionic partial structure and strong SHG effect.
• Authors of publication: Feng, Yuquan; Li, Zhenke; Zhong, Zhiguo; Wang, Hongwei; Qiu, Dongfang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 5
• Pages of publication: 1388 - 1392
• a: 11.5468 ± 0.0004 Å
• b: 13.4262 ± 0.0003 Å
• c: 4.4785 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 694.3 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No