Information card for entry 4336645

Structure parameters

• Formula: Cl0.5 O3 Pb2.75 Si0.25
• Calculated formula: Cl0.5 O3 Pb2.75 Si0.25
• 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: 3.889 ± 0.0007 Å
• b: 3.889 ± 0.0007 Å
• c: 32.56 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 492.45 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No