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Information card for entry 4505378
Preview
| Coordinates | 4505378.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | beta-copper arsenate |
|---|---|
| Chemical name | beta-copper(II) pyroarsenate |
| Formula | As2 Cu2 O7 |
| Calculated formula | As2 Cu2 O7 |
| Title of publication | The Reversible α →β Phase Transition of Cu2As2O7 |
| Authors of publication | Weil, Matthias; Lengauer, Christian; Füglein, Ekkehard; Baran, Enrique J. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2004 |
| Journal volume | 4 |
| Journal issue | 6 |
| Pages of publication | 1229 |
| a | 7.0987 ± 0.0003 Å |
| b | 8.2777 ± 0.0004 Å |
| c | 4.8666 ± 0.0002 Å |
| α | 90° |
| β | 110.206 ± 0.004° |
| γ | 90° |
| Cell volume | 268.37 ± 0.02 Å3 |
| Cell temperature | 673 ± 5 K |
| Ambient diffraction temperature | 673 ± 5 K |
| Number of distinct elements | 3 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor R(I) for significantly intense reflections | 0.106 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 1.54056 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179588 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/53. |
4505378.cif |
| 134621 | 2015-04-02 | The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script. |
4505378.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4505378.cif |
| 51407 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4505377, 4505378 via cif-deposit CGI script. |
4505378.cif |
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Users of the data should acknowledge the original authors of the
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