Information card for entry 2108345

Structure parameters

• Formula: Br1.75 Cu2.5 O4 Pb0.5 Se
• Calculated formula: Br1.75 Cu2.5 O4 Pb0.5 Se
• Title of publication: Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets
• Authors of publication: Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 6
• Pages of publication: 712 - 724
• a: 19.049 ± 0.01 Å
• b: 6.226 ± 0.003 Å
• c: 12.726 ± 0.007 Å
• α: 90°
• β: 109.843 ± 0.012°
• γ: 90°
• Cell volume: 1419.7 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes