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Information card for entry 4303147
Preview
| Coordinates | 4303147.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Chevrel phase |
|---|---|
| Chemical name | cadmium molybdenum sulfide |
| Formula | Mn3 Mo18 S24 |
| Calculated formula | Mn3.00006 Mo18 S24 |
| Title of publication | Crystallography of Chevrel Phases, MMo6T8 (M = Cd, Na, Mn, and Zn, T = S, Se) and Their Cation Mobility |
| Authors of publication | Elena Levi; Gregory Gershinsky; Doron Aurbach; Olivier Isnard |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2009 |
| Journal volume | 48 |
| Pages of publication | 8751 - 8758 |
| a | 9.467 ± 0.002 Å |
| b | 9.467 ± 0.002 Å |
| c | 10.523 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 816.8 ± 0.3 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 K |
| Number of distinct elements | 3 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 |
| Hall space group symbol | -R 3 |
| Residual factor R(I) for significantly intense reflections | 3.5651 |
| Goodness-of-fit parameter for all reflections | 3.0893 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | neutron |
| Diffraction radiation wavelength | 1.9106 Å |
| Diffraction radiation type | neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179069 (current) | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/31. |
4303147.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4303147.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. |
4303147.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4303147.cif |
| 5312 | 2011-01-03 | cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version. |
4303147.cif |
| 1125 | 2010-04-25 | cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition. |
4303147.cif |
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