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Information card for entry 2100609
Preview
| Coordinates | 2100609.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | Al Ca Si |
|---|---|
| Calculated formula | Al Ca Si |
| Title of publication | Modulated corrugations in the crystal structure of the superconductor CaAlSi |
| Authors of publication | K. M. Sparta; R. Müller; M. Merz; G. Roth; P. Adelmann; T. Wolf |
| Journal of publication | Acta Crystallographica, Section B |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 1 |
| Pages of publication | 710 - 718 |
| a | 4.1772 ± 0.00004 Å |
| b | 4.1772 ± 0.00004 Å |
| c | 26.3246 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 397.8 ± 0.008 Å3 |
| Cell temperature | 298 K |
| Number of distinct elements | 3 |
| Space group number | 187 |
| Hermann-Mauguin space group symbol | P -6 m 2 |
| Hall space group symbol | P -6 2 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for all reflections included in the refinement | 0.0817 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.961 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277834 (current) | 2022-09-14 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
2100609.cif |
| 176768 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10. |
2100609.cif |
| 91933 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs. |
2100609.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2100609.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
2100609.cif |
| 321 | 2008-03-30 | Changing the COD CIF files header (comments) in all files that were recently deposited from the IUCr autodownloaded sources to the text agreed with IUCr. |
2100609.cif |
| 156 | 2008-02-24 | Depositing the processed CIF files from the Acta-Cryst-B-2006/ issues 3-6. |
2100609.cif |
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Users of the data should acknowledge the original authors of the
structural data.