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Information card for entry 7061269
Preview
Coordinates | 7061269.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | Cu O4 S |
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Calculated formula | Cu O4 S |
Title of publication | The copper sulfate hydration cycle. Crystal structures of CuSO4 (Chalcocyanite), CuSO4·H2O (Poitevinite), CuSO4·3H2O (Bonattite) and CuSO4·5H2O (Chalcanthite) at low temperature using non-spherical atomic scattering factors |
Authors of publication | Ibrahim, Mukaila A.; Boeré, René T. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2022 |
Journal volume | 46 |
Journal issue | 12 |
Pages of publication | 5479 - 5488 |
a | 8.3958 ± 0.0006 Å |
b | 6.676 ± 0.0004 Å |
c | 4.827 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 270.56 ± 0.03 Å3 |
Cell temperature | 100 ± 0.3 K |
Ambient diffraction temperature | 100 ± 0.3 K |
Number of distinct elements | 3 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0235 |
Residual factor for significantly intense reflections | 0.0205 |
Weighted residual factors for significantly intense reflections | 0.052 |
Weighted residual factors for all reflections included in the refinement | 0.0535 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0215 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7061269.html
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