Information card for entry 4127358

Structure parameters

• Chemical name: Cesium lead triiodoplumbate
• Formula: Cs I3 Pb
• Calculated formula: Cs I3 Pb
• Title of publication: Kinetically Stable Single Crystals of Perovskite-Phase CsPbI₃.
• Authors of publication: Straus, Daniel B.; Guo, Shu; Cava, Robert J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 29
• Pages of publication: 11435 - 11439
• a: 10.45 ± 0.0005 Å
• b: 4.7965 ± 0.0002 Å
• c: 17.7602 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 890.2 ± 0.07 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0313
• Weighted residual factors for all reflections included in the refinement: 0.033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No