Information card for entry 1574020

Structure parameters

• Formula: Bi2 Br3 Cs3 I5.22
• Calculated formula: Bi2 Br3 Cs3 I5.226
• Title of publication: Benign mid-gap halide vacancy states in 2D-bismuth-based halide perovskite microcrystals for enhanced broadband photodetectors.
• Authors of publication: Singh, Kuntal; Hossain, Mozakkar; Nayak, Pabitra Kumar; Karmakar, Sougata; Tripathi, Akash; Sarkar, Prakash; Rudra, Pratyasha; Ali, A. V. Muhammed; Grandhi, G. Krishnamurthy; Vivo, Paola; Mondal, Swastik; Adarsh, K. V.; Ghosh, Dibyajyoti; Rao, K. D. M.
• Journal of publication: Materials horizons
• Year of publication: 2025
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 3865 - 3877
• a: 8.2207 ± 0.0012 Å
• b: 8.2207 ± 0.0012 Å
• c: 10.104 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 591.35 ± 0.17 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180.15 K
• Number of distinct elements: 4
• Space group number: 164
• Hermann-Mauguin space group symbol: P -3 m 1
• Hall space group symbol: -P 3 2"
• Residual factor for all reflections: 0.0196
• Residual factor for significantly intense reflections: 0.0184
• Weighted residual factors for significantly intense reflections: 0.0425
• Weighted residual factors for all reflections included in the refinement: 0.0431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No