Information card for entry 1546882

Structure parameters

• Formula: B2 Cs Na4 O13 P3
• Calculated formula: B2 Cs Na4 O13 P3
• Title of publication: Low-temperature-flux syntheses of ultraviolet-transparent borophosphates Na ₄ MB ₂ P ₃ O ₁₃ (M = Rb, Cs) exhibiting a second-harmonic generation response
• Authors of publication: Wu, Chao; Li, Longhua; Yang, Gang; Song, Junling; Yan, Bing; Humphrey, Mark G.; Zhang, Long; Shao, Jianda; Zhang, Chi
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 37
• Pages of publication: 12605 - 12611
• a: 24.5034 ± 0.0009 Å
• b: 6.7673 ± 0.0002 Å
• c: 14.7803 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2450.9 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0346
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No