Information card for entry 4003894

Structure parameters

• Formula: Bi6.62 Cl54 Rb23 Sb2.38
• Calculated formula: Bi6.623 Cl53.9991 Rb22.9997 Sb2.377
• Title of publication: Lone-Pair-Induced Structural Ordering in the Mixed-Valent 0D Metal-Halides Rb23BiIIIxSbIII7‒xSbV2Cl54 (0 ≤ x ≤ 7)
• Authors of publication: Benin, Bogdan M.; McCall, Kyle M.; Wörle, Michael; Borgeaud, Dominique; Vonderach, Thomas; Sakhatskyi, Kostiantyn; Yakunin, Sergii; Günther, Detlef; Kovalenko, Maksym V.
• Journal of publication: Chemistry of Materials
• Year of publication: 2021
• a: 12.9752 ± 0.0006 Å
• b: 12.9752 ± 0.0006 Å
• c: 112.438 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 16393.5 ± 1.5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• 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: 0.1204
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.2231
• Weighted residual factors for all reflections included in the refinement: 0.2438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No