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Information card for entry 2019353
Preview
| Coordinates | 2019353.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Lithium sulfate monohydrate |
|---|---|
| Formula | H2 Li2 O5 S |
| Calculated formula | H2 Li2 O5 S |
| SMILES | [Li+].[Li][OH2].S(=O)(=O)([O-])[O-] |
| Title of publication | Investigations of the bond-selective response in a piezoelectric Li2SO4·H2O crystal to an applied external electric field |
| Authors of publication | Schmidt, O.; Gorfman, S.; Bohatý, L.; Neumann, E.; Engelen, B.; Pietsch, U. |
| Journal of publication | Acta Crystallographica Section A Foundations of Crystallography |
| Year of publication | 2009 |
| Journal volume | 65 |
| Journal issue | 4 |
| Pages of publication | 267 - 275 |
| a | 5.4484 ± 0.0002 Å |
| b | 4.8339 ± 0.0002 Å |
| c | 8.1407 ± 0.0002 Å |
| α | 90° |
| β | 107.191 ± 0.002° |
| γ | 90° |
| Cell volume | 204.823 ± 0.013 Å3 |
| Cell temperature | 90 ± 5 K |
| Ambient diffraction temperature | 90 ± 5 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0189 |
| Residual factor for significantly intense reflections | 0.0143 |
| Weighted residual factors for all reflections | 0.0246 |
| Weighted residual factors for all reflections included in the refinement | 0.0179 |
| Goodness-of-fit parameter for all reflections included in the refinement | 5.18 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 192315 (current) | 2017-02-19 | cif/2/01/93/ (antanas@kurmis) Correcting the _cod_depositor_comments data item in entry 2019353. |
2019353.cif |
| 192314 | 2017-02-19 | cif/2/01/93/ (antanas@kurmis) Marking atoms 'DUM1', 'DUM2', 'DUM3', 'DUM4', 'DUM5', 'DUM6', 'DUM7', 'DUM8', 'DUM9', 'DUM10' and 'DUM11' as dummy atoms in entry 2019353. |
2019353.cif |
| 192313 | 2017-02-19 | cif/2/01/93/ (antanas@kurmis) Changing the values of the _atom_site_type_symbol data item to match the values of the _atom_site_aniso_type_symbol data item in entry 2019353. |
2019353.cif |
| 192312 | 2017-02-19 | cif/2/01/93/ (antanas@kurmis) Adding the _atom_site_type_symbol data item in entry 2019353. |
2019353.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2019353.cif |
| 99287 | 2014-01-30 | cif/ Adding structures of 2019353 via cif-deposit CGI script. |
2019353.cif |
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Users of the data should acknowledge the original authors of the
structural data.