Information card for entry 2100184

Structure parameters

• Formula: Bi2 Cu3.26 I2.62 S3.38
• Calculated formula: Bi2 Cu3.271 I2.625 S3.38
• Title of publication: Structure of a synthetic halogen sulfosalt, Cu~3~Bi~2~S~3~I~3~
• Authors of publication: Tonci Balic-Zunic; Konstantin Mariolacos; Emil Makovicky
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: 239 - 245
• a: 28.056 ± 0.006 Å
• b: 4.1048 ± 0.0009 Å
• c: 10.58 ± 0.002 Å
• α: 90°
• β: 110.572 ± 0.004°
• γ: 90°
• Cell volume: 1140.7 ± 0.4 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 4
• 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: 0.0813
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes