Information card for entry 4349705
| Formula |
B4 Li6 O12 Zn3 |
| Calculated formula |
B4 Li6 O12 Zn3 |
| Title of publication |
Li6Zn3(BO3)4: a new zincoborate featuring vertex-, edge- and face-sharing LiO4tetrahedra and exhibiting reversible phase transitions |
| Authors of publication |
Chen, Yanna; An, Donghai; Zhang, Min; Hu, Cong; Mutailipu, Miriding; Yang, Zhihua; Lu, Xiaoquan; Pan, Shilie |
| Journal of publication |
Inorganic Chemistry Frontiers |
| Year of publication |
2017 |
| Journal volume |
4 |
| Journal issue |
7 |
| Pages of publication |
1100 |
| a |
4.9516 ± 0.0013 Å |
| b |
9.48 ± 0.002 Å |
| c |
11.95 ± 0.003 Å |
| α |
105.358 ± 0.013° |
| β |
101.862 ± 0.014° |
| γ |
104.252 ± 0.014° |
| Cell volume |
501.8 ± 0.2 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0679 |
| Residual factor for significantly intense reflections |
0.0463 |
| Weighted residual factors for significantly intense reflections |
0.1033 |
| Weighted residual factors for all reflections included in the refinement |
0.112 |
| 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 |
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