Information card for entry 4336644

Structure parameters

• Formula: Br0.17 I1.67 O3.17 Pb3.83
• Calculated formula: Br0.166667 I1.66667 O3.16667 Pb3.83333
• Title of publication: Synthesis and Modular Structural Architectures of Mineralogically Inspired Novel Complex Pb Oxyhalides
• Authors of publication: Oleg I. Siidra; Diana O. Zinyakhina; Anastasiya I. Zadoya; Sergey V. Krivovichev; Rick W. Turner
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12799 - 12805
• a: 11.0697 ± 0.0011 Å
• b: 15.5603 ± 0.0014 Å
• c: 16.1335 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2779 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No