Information card for entry 4517316

Structure parameters

• Formula: B10 Ca4 Cl2 O18
• Calculated formula: B10 Ca4 Cl2 O18
• Title of publication: Ca₂B₅O₉Cl and Sr₂B₅O₉Cl: Nonlinear Optical Crystals with Deep-Ultraviolet Transparency Windows.
• Authors of publication: Wang, Zujian; He, Jiangang; Hu, Bing; Shan, Pai; Xiong, Zheyao; Su, Rongbing; He, Chao; Yang, Xiaoming; Long, Xifa
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 4632 - 4637
• a: 11.1369 ± 0.0006 Å
• b: 11.2626 ± 0.0005 Å
• c: 6.2995 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 790.15 ± 0.07 ų
• Cell temperature: 101.3 ± 0.3 K
• Ambient diffraction temperature: 101.3 ± 0.3 K
• Number of distinct elements: 4
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No