Information card for entry 7703061

Structure parameters

• Formula: B7 Ba Cs O12
• Calculated formula: B7 Ba Cs O12
• Title of publication: Effect of anion dimensionality on optical properties: the _\ιnfty[B₇O₁₀(OH)₂] layer in CsB₇O₁₀(OH)₂vs. the _\ιnfty[B₇O₁₂] framework in CsBaB₇O₁₂.
• Authors of publication: Miao, Zhaohong; Yang, Yun; Wei, Zhonglei; Yang, Zhihua; Pan, Shilie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 4
• Pages of publication: 1292 - 1299
• a: 10.6012 ± 0.0004 Å
• b: 8.6819 ± 0.0004 Å
• c: 12.6458 ± 0.0005 Å
• α: 90°
• β: 112.502 ± 0.002°
• γ: 90°
• Cell volume: 1075.29 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No