Information card for entry 1567391
Formula |
Cs2 F5 I O4 W |
Calculated formula |
Cs2 F5 I O4 W |
Title of publication |
Wide Bandgaps and Strong SHG Responses of Hetero-Oxyfluorides by Dual-Fluorination-Directed Bandgap Engineering |
Authors of publication |
Hu, Yilei; Jiang, Xingxing; Wu, Tianhui; Xue, Yanyan; Wu, Chao; Huang, Zhipeng; Lin, Zheshuai; Xu, Jun; Humphrey, Mark G.; Zhang, Chi |
Journal of publication |
Chemical Science |
Year of publication |
2022 |
a |
12.1122 ± 0.0006 Å |
b |
10.6192 ± 0.0006 Å |
c |
7.8333 ± 0.0004 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1007.53 ± 0.09 Å3 |
Cell temperature |
294 ± 2 K |
Ambient diffraction temperature |
294 ± 2 K |
Number of distinct elements |
5 |
Space group number |
36 |
Hermann-Mauguin space group symbol |
C m c 21 |
Hall space group symbol |
C 2c -2 |
Residual factor for all reflections |
0.0291 |
Residual factor for significantly intense reflections |
0.0279 |
Weighted residual factors for significantly intense reflections |
0.0599 |
Weighted residual factors for all reflections included in the refinement |
0.0604 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.083 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/1567391.html