Information card for entry 4516209

Structure parameters

• Formula: C H6 I6 N Te
• Calculated formula: I6 N2 Te
• SMILES: [NH4+].[Te](I)(I)(I)(I)([I-])[I-].[NH4+]
• Title of publication: Tellurium-Based Double Perovskites A2TeX6 with Tunable Band Gap and Long Carrier Diffusion Length for Optoelectronic Applications
• Authors of publication: Ju, Dianxing; Zheng, Xiaopeng; Yin, Jun; Qiu, Zhiwen; Türedi, Bekir; Liu, Xiaolong; Dang, Yangyang; Cao, Bingqiang; Mohammed, Omar F.; Bakr, Osman M.; Tao, Xutang
• Journal of publication: ACS Energy Letters
• Year of publication: 2018
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 228
• a: 12 ± 0.004 Å
• b: 12 ± 0.004 Å
• c: 12 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1728 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.0252
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No