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Information card for entry 4030894
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| Coordinates | 4030894.cif |
|---|
| Formula | Li Mo2 O8 Tl3 |
|---|---|
| Calculated formula | Li Mo2 O8 Tl3 |
| SMILES | [Li+].[O-][Mo](=O)(=O)[O-].[O-][Mo]([O-])(=O)=O.[Tl+].[Tl+].[Tl+] |
| Title of publication | Structure determination of Tl3Li(MoO4)2. Stereochemical activity of Tl(I) lone pair |
| Authors of publication | Colbeau-Justin, C.; Wallez, G.; Xuriguera, A.-M.; Elfakir, A.; Jaulmes, S.; Quarton, M. |
| Journal of publication | European Journal of Solid State and Inorganic Chemistry |
| Year of publication | 1997 |
| Journal volume | 34 |
| Pages of publication | 1097 - 1106 |
| a | 6.0037 ± 0.0001 Å |
| b | 6.0037 ± 0.0001 Å |
| c | 15.8194 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 493.809 ± 0.019 Å3 |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 4 |
| Space group number | 186 |
| Hermann-Mauguin space group symbol | P 63 m c |
| Hall space group symbol | P 6c -2c |
| Residual factor R(I) for significantly intense reflections | 0.0657 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | neutron |
| Diffraction radiation wavelength | 1.5938 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178487 (current) | 2016-03-21 | cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/08. |
4030894.cif |
| 134539 | 2015-03-31 | cif/ Adding structures of 4030894 via cif-deposit CGI script. |
4030894.cif |
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Users of the data should acknowledge the original authors of the
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