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Information card for entry 1550164
Preview
| Coordinates | 1550164.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | B4.09 Ba4 Bi2 O29 Si7.91 |
|---|---|
| Calculated formula | B4.092 Ba4 Bi2 O29 Si7.908 |
| Title of publication | Ba4Bi2(Si8-xB4+xO29)(x=0.09): A New Acentric Metal Borosilicate as Promising Nonlinear Optical Material |
| Authors of publication | Tang, Ruling; Hu, Chun-Li; Mao, Feifei; Feng, Jianghe; Mao, Jianggao |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 11.0254 ± 0.0004 Å |
| b | 11.0254 ± 0.0004 Å |
| c | 10.3961 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1263.74 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 121 |
| Hermann-Mauguin space group symbol | I -4 2 m |
| Hall space group symbol | I -4 2 |
| Residual factor for all reflections | 0.0177 |
| Residual factor for significantly intense reflections | 0.0169 |
| Weighted residual factors for significantly intense reflections | 0.0329 |
| Weighted residual factors for all reflections included in the refinement | 0.0333 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211728 (current) | 2018-11-01 | cif/ Adding structures of 1550164 via cif-deposit CGI script. |
1550164.cif |
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