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Information card for entry 4518152
Preview
| Coordinates | 4518152.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ba F2 Mo2 O10 Te2 |
|---|---|
| Calculated formula | Ba F2 Mo2 O10 Te2 |
| Title of publication | Ba(MoO2F)2(XO3)2 (X = Se and Te): First Cases of Noncentrosymmetric Fluorinated Molybdenum Oxide Selenite/Tellurite Through Unary Substitution for Enlarging Band Gaps and Second Harmonic Generation |
| Authors of publication | Lin, Lin; Jiang, Xingxing; Wu, Chao; Li, Longhua; Lin, Zheshuai; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi |
| Journal of publication | ACS Applied Materials & Interfaces |
| Year of publication | 2020 |
| a | 12.5591 ± 0.0014 Å |
| b | 11.0137 ± 0.0009 Å |
| c | 7.2753 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1006.34 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 41 |
| Hermann-Mauguin space group symbol | A e a 2 |
| Hall space group symbol | A 2 -2ab |
| Residual factor for all reflections | 0.0358 |
| Residual factor for significantly intense reflections | 0.0297 |
| Weighted residual factors for significantly intense reflections | 0.0643 |
| Weighted residual factors for all reflections included in the refinement | 0.0856 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.196 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258539 (current) | 2020-10-23 | cif/ Adding structures of 4518152 via cif-deposit CGI script. |
4518152.cif |
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