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Information card for entry 4002945
Preview
| Coordinates | 4002945.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | I2 K Mo2 O12 Rb |
|---|---|
| Calculated formula | I2 K1.0495 Mo2 O12 Rb0.9505 |
| Title of publication | Two Polar Molybdenum(VI) Iodates(V) with Large Second-Harmonic Generation Responses |
| Authors of publication | Li, Yahui; Han, Guopeng; Yu, Hongwei; Li, Hao; Yang, Zhihua; Pan, Shilie |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2019 |
| Journal volume | 31 |
| Journal issue | 8 |
| Pages of publication | 2992 |
| a | 30.02 ± 0.04 Å |
| b | 10.205 ± 0.013 Å |
| c | 7.762 ± 0.01 Å |
| α | 90° |
| β | 103.786 ± 0.015° |
| γ | 90° |
| Cell volume | 2309 ± 5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0632 |
| Residual factor for significantly intense reflections | 0.0534 |
| Weighted residual factors for significantly intense reflections | 0.1125 |
| Weighted residual factors for all reflections included in the refinement | 0.1195 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220369 (current) | 2019-10-29 | cif/ Adding structures of 4002945 via cif-deposit CGI script. |
4002945.cif |
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Users of the data should acknowledge the original authors of the
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