Information card for entry 4127957

Structure parameters

• Formula: Bi2.72 K1.28 Mn1.28 S6
• Calculated formula: Bi2.7196 K1.282 Mn1.2804 S6
• Title of publication: K_<i>x</i>[Bi_4-<i>x</i>Mn_<i>x</i>S₆], Design of a Highly Selective Ion Exchange Material and Direct Gap 2D Semiconductor.
• Authors of publication: Wang, Ruiqi; Chen, Haijie; Xiao, Yi; Hadar, Ido; Bu, Kejun; Zhang, Xian; Pan, Jie; Gu, Yuhao; Guo, Zhongnan; Huang, Fuqiang; Kanatzidis, Mercouri G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 42
• Pages of publication: 16903 - 16914
• a: 3.9521 ± 0.00014 Å
• b: 3.9521 ± 0.00014 Å
• c: 23.0937 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 312.38 ± 0.03 ų
• Cell temperature: 180 ± 0.02 K
• Ambient diffraction temperature: 180 ± 0.02 K
• Number of distinct elements: 4
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.269
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No