Information card for entry 4003326

Structure parameters

• Formula: B Br2 K O3 Zn2
• Calculated formula: B Br2 K O3 Zn2
• Title of publication: AZn2BO3X2(A = K, Rb, NH4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures
• Authors of publication: Yang, Guangsai; Gong, Pifu; Lin, Zheshuai; Ye, Ning
• Journal of publication: Chemistry of Materials
• Year of publication: 2016
• Journal volume: 28
• Journal issue: 24
• Pages of publication: 9122
• a: 4.9618 ± 0.0006 Å
• b: 4.9618 ± 0.0006 Å
• c: 28.199 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 601.23 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 155
• Hermann-Mauguin space group symbol: R 3 2 :H
• Hall space group symbol: R 3 2"
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0596
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No