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Information card for entry 2104669
Preview
| Coordinates | 2104669.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | Ca8 Cl3.8 O42.1 Pb12 Si12 |
|---|---|
| Calculated formula | Ca8 Cl3.8 O42.1 Pb12 Si12 |
| Title of publication | Polysomatic apatites |
| Authors of publication | Baikie, Tom; Pramana, Stevin S.; Ferraris, Cristiano; Huang, Yizhong; Kendrick, Emma; Knight, Kevin S.; Ahmad, Zahara; White, T. J. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 1 |
| Pages of publication | 1 - 16 |
| a | 10.0898 ± 0.0001 Å |
| b | 10.0898 ± 0.0001 Å |
| c | 13.2506 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1168.24 ± 0.019 Å3 |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 5 |
| Space group number | 176 |
| Hermann-Mauguin space group symbol | P 63/m |
| Hall space group symbol | -P 6c |
| Goodness-of-fit parameter for all reflections | 3.4 |
| 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 |
|---|---|---|---|
| 199608 (current) | 2017-08-07 | cif/2/10/46/ (antanas@echidna.ibt.lt) Adding the _chemical_formula_sum data item in entries 2104666, 2104667, 2104668, 2104669 after consulting the original publication. |
2104669.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. |
2104669.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. |
2104669.cif |
| 91933 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs. |
2104669.cif |
| 32112 | 2012-02-03 | cif/: committing an update of 45+ thous files, with information appended from the originals. | 2104669.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2104669.cif |
| 26029 | 2011-09-17 | cif/2/ Reverting changes of revision 25271: ( cd cif/2/; svn merge -r25271:25270 . ) The problem was that the reprocessed files from IUCr, although were more complete, "resurrected" data errors that were corrected in the previous recisions. The additional data that have been extracted during the reprocessing will have to be merged without overwriting the existing values in COD files, except some explicit and controlled cases (such as publication titles and chemical names). |
2104669.cif |
| 25271 | 2011-09-10 | cif/2/ Adding reporocessed IUCr CIFs for the years 1980-2010. The CIFs now contain more complete bibliography, substance names, correctly unfolded text fields (using the CIF line unfolding protocol), explicitely set cell angles, and _cod_data_source_block fields. |
2104669.cif |
| 1021 | 2010-03-05 | cif/2/ Adding CIFs after IUCr 2010 February data processing. |
2104669.cif |
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Users of the data should acknowledge the original authors of the
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