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Information card for entry 2108764
Preview
| Coordinates | 2108764.cif |
|---|---|
| Structure factors | 2108764.hkl |
| Original paper (by DOI) | HTML |
| Formula | La3 Li6.27 O12 Ta1.09 Zr0.91 |
|---|---|
| Calculated formula | La2.961 Li6.072 O12 Ta1.102 Zr0.898 |
| Title of publication | Single-crystal neutron and X-ray diffraction study of garnet-type solid-state electrolyte Li~6~La~3~ZrTaO~12~: an <i>in situ</i> temperature-dependence investigation (2.5 {łeq} <i>T</i> {łeq} 873K) |
| Authors of publication | Redhammer, Günther J.; Meven, Martin; Ganschow, Steffen; Tippelt, Gerold; Rettenwander, Daniel |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 1 |
| Pages of publication | 123 - 130 |
| a | 12.8592 ± 0.0002 Å |
| b | 12.8592 ± 0.0002 Å |
| c | 12.8592 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2126.38 ± 0.06 Å3 |
| Cell temperature | 200 ± 1 K |
| Ambient diffraction temperature | 200 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 230 |
| Hermann-Mauguin space group symbol | I a -3 d |
| Hall space group symbol | -I 4bd 2c 3 |
| Residual factor for all reflections | 0.0657 |
| Residual factor for significantly intense reflections | 0.0271 |
| Weighted residual factors for significantly intense reflections | 0.0328 |
| Weighted residual factors for all reflections included in the refinement | 0.0413 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.974 |
| Diffraction radiation probe | MLZ SR9B (hot source) |
| Diffraction radiation wavelength | 0.793 Å |
| Diffraction radiation type | neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 261792 (current) | 2021-02-05 | cif/ Updating files of 2108763, 2108764, 2108765, 2108766 Original log message: Adding full bibliography for 2108763--2108766.cif. |
2108764.cif 2108764.hkl |
| 261259 | 2021-01-27 | cif/ hkl/ Adding structures of 2108763, 2108764, 2108765, 2108766 via cif-deposit CGI script. |
2108764.cif 2108764.hkl |
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Users of the data should acknowledge the original authors of the
structural data.