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Information card for entry 4003500
Preview
| Coordinates | 4003500.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Cs K Mo O9 P2 |
|---|---|
| Calculated formula | Cs K Mo O9 P2 |
| Title of publication | Alignment of Polar Moieties Leading to Strong Second Harmonic Response in KCsMoP2O9 |
| Authors of publication | Baiheti, Tuohetijiang; Han, Shujuan; Tudi, Abudukadi; Yang, Zhihua; Pan, Shilie |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2020 |
| a | 8.446 ± 0.004 Å |
| b | 8.446 ± 0.004 Å |
| c | 21.998 ± 0.019 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1359 ± 1.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 170 |
| Hermann-Mauguin space group symbol | P 65 |
| Hall space group symbol | P 65 |
| Residual factor for all reflections | 0.028 |
| Residual factor for significantly intense reflections | 0.0263 |
| Weighted residual factors for significantly intense reflections | 0.055 |
| Weighted residual factors for all reflections included in the refinement | 0.0563 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249579 (current) | 2020-03-21 | cif/ Adding structures of 4003500 via cif-deposit CGI script. |
4003500.cif |
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