Information card for entry 1573697
| Formula |
O7 S Te Ti |
| Calculated formula |
O7 S Te Ti |
| Title of publication |
Different p-block elements induce C<sub>3</sub>[111] octahedral distortion in titanium to generate an intense nonlinear effect. |
| Authors of publication |
Li, Zhenhua; Liang, Zhengli; Wan, Jiahao; Liu, Lehui; Wu, Chunxiang; Wang, Ping; Jiang, Xingxing; Lin, Zheshuai; Liu, Hongming |
| Journal of publication |
Chemical science |
| Year of publication |
2025 |
| Journal volume |
16 |
| Journal issue |
7 |
| Pages of publication |
3329 - 3335 |
| a |
4.9516 ± 0.0003 Å |
| b |
7.6029 ± 0.0004 Å |
| c |
7.1865 ± 0.0004 Å |
| α |
90° |
| β |
105.062 ± 0.006° |
| γ |
90° |
| Cell volume |
261.25 ± 0.03 Å3 |
| Cell temperature |
300 ± 2 K |
| Ambient diffraction temperature |
300 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
4 |
| Hermann-Mauguin space group symbol |
P 1 21 1 |
| Hall space group symbol |
P 2yb |
| Residual factor for all reflections |
0.0244 |
| Residual factor for significantly intense reflections |
0.0232 |
| Weighted residual factors for significantly intense reflections |
0.0445 |
| Weighted residual factors for all reflections included in the refinement |
0.0453 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.07 |
| 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/1573697.html
