Information card for entry 1573063

Structure parameters

• Formula: Br0.5 Cl0.5 Ga2 O9 Te3
• Calculated formula: Br0.5 Cl0.5 Ga2 O9 Te3
• Title of publication: Noncentrosymmetric tellurite halides created by a depolymerization strategy: toward strong SHG intensity and wide bandgap.
• Authors of publication: Zhou, Dan-Dan; Hu, Chun-Li; Zhang, Xin-Wei; Mao, Jiang-Gao; Kong, Fang
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 47
• Pages of publication: 19920 - 19927
• a: 15.8664 ± 0.0014 Å
• b: 6.9672 ± 0.0006 Å
• c: 8.3796 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 926.32 ± 0.14 ų
• Cell temperature: 292.15 K
• Ambient diffraction temperature: 292.15 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0342
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No