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Information card for entry 2105205
Preview
| Coordinates | 2105205.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | Al K O2 |
|---|---|
| Calculated formula | Al K O2 |
| SMILES | [Al+3].[K+].[O-2].[O-2] |
| Title of publication | The natural tiling approach to cation conductivity in KAlO~2~ polymorphs |
| Authors of publication | Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | 356 - 363 |
| a | 5.4888 ± 0.0002 Å |
| b | 11.0346 ± 0.0004 Å |
| c | 15.5598 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 942.41 ± 0.06 Å3 |
| Cell temperature | 773 K |
| Ambient diffraction temperature | 773 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Goodness-of-fit parameter for all reflections | 5.9903 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | neutron |
| Diffraction radiation wavelength | 1.8857 Å |
| Diffraction radiation type | neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184482 (current) | 2016-07-15 | Fixing a few Z values and formulae |
2105205.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. |
2105205.cif |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2105205.cif |
| 106285 | 2014-03-15 | cod/ (saulius@kolibris) Adding the '_diffrn_radiation_probe neutron' data item to those COD CIFs that declared neuron radiation in their _diffrn_radiation_type data field, and did not have a _diffrn_radiation_probe item yet: codsql 'select file from data where radiation is null and radType like "%neutron%"' -NB \ | codid2file \ | xargs -i sh -c 'test -f {} && ( set -x; echo _diffrn_radiation_probe neutron >> {} )' Two files that had no newlines at the end were fixed manually. |
2105205.cif |
| 65967 | 2012-09-06 | cif/ Adding structures of 2105200, 2105201, 2105202, 2105203, 2105204, 2105205, 2105206, 2105207, 2105208 via cif-deposit CGI script. |
2105205.cif |
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Users of the data should acknowledge the original authors of the
structural data.