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Information card for entry 4001597
Preview
| Coordinates | 4001597.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Chevrel phase |
|---|---|
| Chemical name | zinc dihydroxide divanadate dihydrate |
| Formula | Mg2 Mo6 S8 |
| Calculated formula | Mg1.99992 Mo6 S8 |
| Title of publication | Phase Diagram of Mg Insertion into Chevrel Phases, MgxMo6T8(T = S, Se). 1. Crystal Structure of the Sulfides |
| Authors of publication | Levi, E.; Lancry, E.; Mitelman, A.; Aurbach, D.; Ceder, G.; Morgan, D.; Isnard, O. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2006 |
| Journal volume | 18 |
| Journal issue | 23 |
| Pages of publication | 5492 |
| a | 9.7630596 ± 0.000001 Å |
| b | 9.7630596 ± 0.000001 Å |
| c | 10.3689375 ± 0.000001 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 855.927 ± 0.00015 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 | 6.6854 |
| Goodness-of-fit parameter for all reflections | 0.6703 |
| 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 |
|---|---|---|---|
| 178377 (current) | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4001597.cif |
| 120073 | 2014-07-11 | Adding DOIs to range 4/00 structures. | 4001597.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. |
4001597.cif |
| 47650 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4001596, 4001597 via cif-deposit CGI script. |
4001597.cif |
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Users of the data should acknowledge the original authors of the
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