Information card for entry 1550164

Structure parameters

• Formula: B4.09 Ba4 Bi2 O29 Si7.91
• Calculated formula: B4.092 Ba4 Bi2 O29 Si7.908
• Title of publication: Ba4Bi2(Si8-xB4+xO29)(x=0.09): A New Acentric Metal Borosilicate as Promising Nonlinear Optical Material
• Authors of publication: Tang, Ruling; Hu, Chun-Li; Mao, Feifei; Feng, Jianghe; Mao, Jianggao
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 11.0254 ± 0.0004 Å
• b: 11.0254 ± 0.0004 Å
• c: 10.3961 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1263.74 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 121
• Hermann-Mauguin space group symbol: I -4 2 m
• Hall space group symbol: I -4 2
• Residual factor for all reflections: 0.0177
• Residual factor for significantly intense reflections: 0.0169
• Weighted residual factors for significantly intense reflections: 0.0329
• Weighted residual factors for all reflections included in the refinement: 0.0333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No