Information card for entry 4002749

Structure parameters

• Formula: I9 Rb3 Sb2
• Calculated formula: I9 Rb3 Sb2
• Title of publication: Strong Electron‒Phonon Coupling and Self-Trapped Excitons in the Defect Halide Perovskites A3M2I9 (A = Cs, Rb; M = Bi, Sb)
• Authors of publication: McCall, Kyle M.; Stoumpos, Constantinos C.; Kostina, Svetlana S.; Kanatzidis, Mercouri G.; Wessels, Bruce W.
• Journal of publication: Chemistry of Materials
• Year of publication: 2017
• a: 14.59 ± 0.003 Å
• b: 8.1879 ± 0.0016 Å
• c: 20.584 ± 0.004 Å
• α: 90°
• β: 90.36 ± 0.03°
• γ: 90°
• Cell volume: 2458.9 ± 0.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1206
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.17
• Weighted residual factors for all reflections included in the refinement: 0.1889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No