Information card for entry 4518634

Structure parameters

• Formula: Cl2 Cs3 I3 Mn
• Calculated formula: Cl2 Cs3 I3 Mn
• Title of publication: Light-Emitting Diodes with Manganese Halide Tetrahedron Embedded in Anti-Perovskites
• Authors of publication: Yan, Siyu; Tang, Kaixin; Lin, Yuejian; Ren, Yuanhang; Tian, Wanli; Chen, Hua; Lin, Tingting; Qiu, Longzhen; Pan, Xiaoyong; Wang, Weizhi
• Journal of publication: ACS Energy Letters
• Year of publication: 2021
• Pages of publication: 1901 - 1911
• a: 14.4125 ± 0.0004 Å
• b: 14.4125 ± 0.0004 Å
• c: 15.2106 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3159.55 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 90
• Hermann-Mauguin space group symbol: P 4 21 2
• Hall space group symbol: P 4ab 2ab
• Residual factor for all reflections: 0.1546
• Residual factor for significantly intense reflections: 0.1385
• Weighted residual factors for significantly intense reflections: 0.3953
• Weighted residual factors for all reflections included in the refinement: 0.4101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No