Information card for entry 4516206

Structure parameters

• Formula: C14 I6 N2 Te
• Calculated formula: C14 I6 N2 Te
• SMILES: [Te](I)(I)(I)(I)(I)I.c1(C#N)ccccc1.N#Cc1ccccc1
• 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: 8.3804 ± 0.0007 Å
• b: 13.5963 ± 0.0011 Å
• c: 23.1525 ± 0.0019 Å
• α: 90°
• β: 93.843 ± 0.001°
• γ: 90°
• Cell volume: 2632.1 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No