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Information card for entry 4126821
Preview
| Coordinates | 4126821.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | B15 Ba K7 O30 Y2 |
|---|---|
| Calculated formula | B15 Ba K7 O30 Y2 |
| Title of publication | Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials. |
| Authors of publication | Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| a | 12.9884 ± 0.0015 Å |
| b | 12.9884 ± 0.0015 Å |
| c | 15.718 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2296.4 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 155 |
| Hermann-Mauguin space group symbol | R 3 2 :H |
| Hall space group symbol | R 3 2" |
| Residual factor for all reflections | 0.0549 |
| Residual factor for significantly intense reflections | 0.0508 |
| Weighted residual factors for significantly intense reflections | 0.1367 |
| Weighted residual factors for all reflections included in the refinement | 0.14 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204051 (current) | 2017-12-08 | cif/ Adding structures of 4126821 via cif-deposit CGI script. |
4126821.cif |
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Users of the data should acknowledge the original authors of the
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