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Information card for entry 4505377
Preview
| Coordinates | 4505377.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Copperpyroarsenate |
|---|---|
| Chemical name | Copper(II) diarsenate(V) |
| 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 | 7.237 ± 0.003 Å |
| b | 8.2557 ± 0.0017 Å |
| c | 9.78 ± 0.003 Å |
| α | 90° |
| β | 111.03 ± 0.02° |
| γ | 90° |
| Cell volume | 545.4 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0287 |
| Residual factor for significantly intense reflections | 0.0278 |
| Weighted residual factors for significantly intense reflections | 0.0749 |
| Weighted residual factors for all reflections included in the refinement | 0.0755 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.169 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
4505377.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4505377.cif |
| 51407 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4505377, 4505378 via cif-deposit CGI script. |
4505377.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.