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Information card for entry 2105252
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| Coordinates | 2105252.cif |
|---|---|
| Structure factors | 2105252.hkl |
| Original IUCr paper | HTML |
| Common name | Calcium hemicarboaluminate |
|---|---|
| Chemical name | Tetracalcium dialuminium dodecahydroxide hemicarbonate hydroxide n-hydrate |
| Formula | C0.25 Al Ca2 O9.25 |
| Calculated formula | C0.25 Al Ca2 O9.24998 |
| Title of publication | Crystal structures of calcium hemicarboaluminate and carbonated calcium hemicarboaluminate from synchrotron powder diffraction data |
| Authors of publication | Runčevski, Tomče; Dinnebier, Robert E.; Magdysyuk, Oxana V.; Pöllmann, Herbert |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 5 |
| Pages of publication | 493 - 500 |
| a | 5.7757 ± 0.0001 Å |
| b | 5.7757 ± 0.0001 Å |
| c | 48.812 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1410.15 ± 0.07 Å3 |
| Cell temperature | 297.15 K |
| Ambient diffraction temperature | 297.15 K |
| Number of distinct elements | 4 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c :H |
| Hall space group symbol | -R 3 2"c |
| Goodness-of-fit parameter for all reflections | 5.233 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 0.8264 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180911 (current) | 2016-04-02 | hkl/2/10/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10/52. |
2105252.cif 2105252.hkl |
| 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. |
2105252.cif 2105252.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2105252.cif 2105252.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2105252.cif 2105252.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2105252.cif 2105252.hkl |
| 69724 | 2012-12-21 | cif/ Adding structures of 2105251, 2105252 via cif-deposit CGI script. |
2105252.cif |
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Users of the data should acknowledge the original authors of the
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