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Information card for entry 1545114
Preview
| Coordinates | 1545114.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Barium |
|---|---|
| Chemical name | BaIVb at high pressure of 18.5 GPa |
| Formula | Ba |
| Calculated formula | Ba1.25 |
| SMILES | [Ba] |
| Title of publication | Incommensurate atomic density waves in the high-pressure IVb phase of barium |
| Authors of publication | Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais |
| Journal of publication | IUCrJ |
| Year of publication | 2017 |
| Journal volume | 4 |
| Journal issue | 2 |
| Pages of publication | 152 - 157 |
| a | 11.5457 Å |
| b | 11.5882 Å |
| c | 4.599 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 615.318 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Cell measurement pressure | 18.5 kPa |
| Ambient diffracton pressure | 18.5 kPa |
| Number of distinct elements | 1 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 21/b 1 1 |
| Hall space group symbol | -P 2xab |
| Residual factor for all reflections | 0.1531 |
| Residual factor for significantly intense reflections | 0.1531 |
| Weighted residual factors for significantly intense reflections | 0.1046 |
| Weighted residual factors for all reflections included in the refinement | 0.1046 |
| Goodness-of-fit parameter for significantly intense reflections | 3.97 |
| Goodness-of-fit parameter for all reflections included in the refinement | 3.97 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.4151 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193979 (current) | 2017-03-05 | cif/ Updating files of 1545111, 1545112, 1545113, 1545114, 1545115, 1545116 Original log message: Adding full bibliography for 1545111--1545116.cif. |
1545114.cif |
| 190800 | 2017-01-21 | cif/ Adding structures of 1545111, 1545112, 1545113, 1545114, 1545115, 1545116 via cif-deposit CGI script. |
1545114.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.