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Information card for entry 2300663
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| Coordinates | 2300663.cif |
|---|---|
| Structure factors | 2300663.hkl |
| Original paper (by DOI) | HTML |
| Formula | Fe4 Mn Si3 |
|---|---|
| Calculated formula | Fe4 Mn Si3 |
| Title of publication | Combined X-ray and neutron single-crystal diffraction in diamond anvil cells |
| Authors of publication | Grzechnik, Andrzej; Meven, Martin; Paulmann, Carsten; Friese, Karen |
| Journal of publication | Journal of Applied Crystallography |
| Year of publication | 2020 |
| Journal volume | 53 |
| Journal issue | 1 |
| Pages of publication | 9 - 14 |
| a | 6.7705 ± 0.0006 Å |
| b | 6.7705 ± 0.0006 Å |
| c | 4.7044 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 186.76 ± 0.02 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 193 |
| Hermann-Mauguin space group symbol | P 63/m c m |
| Hall space group symbol | -P 6c 2 |
| Residual factor for all reflections | 0.1466 |
| Residual factor for significantly intense reflections | 0.0944 |
| Weighted residual factors for significantly intense reflections | 0.0692 |
| Weighted residual factors for all reflections included in the refinement | 0.0718 |
| Goodness-of-fit parameter for significantly intense reflections | 7.54 |
| Goodness-of-fit parameter for all reflections included in the refinement | 3.7 |
| Diffraction radiation probe | neutron |
| Diffraction radiation wavelength | 1.17 Å |
| Diffraction radiation type | neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247891 (current) | 2020-02-05 | cif/ Updating files of 2300663, 2300664 Original log message: Adding full bibliography for 2300663--2300664.cif. |
2300663.cif 2300663.hkl |
| 246419 | 2020-01-01 | cif/ hkl/ Adding structures of 2300663, 2300664 via cif-deposit CGI script. |
2300663.cif 2300663.hkl |
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Users of the data should acknowledge the original authors of the
structural data.