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Information card for entry 4003888
Preview
| Coordinates | 4003888.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Barium Iron Aluminum |
|---|---|
| Formula | Al9 Ba Fe2 |
| Calculated formula | Al9 Ba Fe1.968 |
| Title of publication | A Catastrophic Charge Density Wave in BaFe2Al9 |
| Authors of publication | Meier, William R.; Chakoumakos, Bryan C.; Okamoto, Satoshi; McGuire, Michael A.; Hermann, Raphaël P.; Samolyuk, German D.; Gao, Shang; Zhang, Qiang; Stone, Matthew B.; Christianson, Andrew D.; Sales, Brian C. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2021 |
| a | 8.018667 ± 0.000016 Å |
| b | 8.018667 ± 0.000016 Å |
| c | 3.934816 ± 0.000014 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 219.109 ± 0.001 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 K |
| Number of distinct elements | 3 |
| Space group number | 191 |
| Hermann-Mauguin space group symbol | P 6/m m m |
| Hall space group symbol | -P 6 2 |
| Residual factor for all reflections | 0.0119 |
| Residual factor for significantly intense reflections | 0.0115 |
| Weighted residual factors for all reflections | 0.0162 |
| Weighted residual factors for significantly intense reflections | 0.0158 |
| Goodness-of-fit parameter for all reflections | 2.8013 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | neutron |
| Diffraction radiation type | Neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 263047 (current) | 2021-03-16 | cif/ Adding structures of 4003888 via cif-deposit CGI script. |
4003888.cif |
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