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Information card for entry 7714623
Preview
| Coordinates | 7714623.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | H2 I Mo Na O7 |
|---|---|
| Calculated formula | H2 I Mo Na O7 |
| Title of publication | NaMoO<sub>3</sub>(IO<sub>3</sub>)(H<sub>2</sub>O): water molecule introduction induces strong second harmonic generation response, widened band gap and large anisotropy. |
| Authors of publication | Shui, Yi; Liang, Zhengli; Li, Zhenhua; Wan, Jiahao; Liu, Lehui; Jiang, Xingxing; Lin, Zheshuai; Liu, Hongming |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2024 |
| Journal volume | 53 |
| Journal issue | 3 |
| Pages of publication | 1221 - 1229 |
| a | 10.9278 ± 0.0009 Å |
| b | 7.7836 ± 0.0006 Å |
| c | 7.2784 ± 0.0006 Å |
| α | 90° |
| β | 99.345 ± 0.008° |
| γ | 90° |
| Cell volume | 610.87 ± 0.09 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.0639 |
| Residual factor for significantly intense reflections | 0.0573 |
| Weighted residual factors for significantly intense reflections | 0.1338 |
| Weighted residual factors for all reflections included in the refinement | 0.1407 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 289541 (current) | 2024-02-04 | cif/ Updating files of 7714623 Original log message: Adding full bibliography for 7714623.cif. |
7714623.cif |
| 288106 | 2023-12-07 | cif/ Adding structures of 7714623 via cif-deposit CGI script. |
7714623.cif |
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Users of the data should acknowledge the original authors of the
structural data.