Information card for entry 7233702

Structure parameters

• Formula: B7 Li4 O14 Rb3
• Calculated formula: B7 Li4 O14 Rb3
• Title of publication: p–(p,π*) interaction mechanism revealing and accordingly designed new member in deep-ultraviolet NLO borates Li~n~M~n-1~B~2n-1~O~4n-2~ (M = Cs/Rb, n = 3, 4, 6)
• Authors of publication: Zhang, Bingbing; Yang, Zhihua; Yang, Yun; Lee, Ming-Hsien; Pan, Shilie; Jing, Qun; Su, Xin
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Journal issue: 21
• Pages of publication: 4133 - 4141
• a: 6.8765 ± 0.0005 Å
• b: 6.8765 ± 0.0005 Å
• c: 25.923 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1061.6 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0234
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0433
• Weighted residual factors for all reflections included in the refinement: 0.0442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No