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Information card for entry 1551108
Preview
Coordinates | 1551108.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | H K3 O8 S2 |
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Calculated formula | H K3 O8 S2 |
SMILES | [O-]S(=O)(=O)O.[O-]S(=O)(=O)[O-].[K+].[K+].[K+] |
Title of publication | Neutron scattering studies of K3H(SO4)2 and K3D(SO4)2 : Infinite square-wells and quantum phase transition |
Authors of publication | Francois Fillaux; Alain Cousson |
Journal of publication | Journal of Chemical Physics |
Year of publication | 2012 |
Journal volume | 137 |
Pages of publication | 074504 |
a | 9.7038 ± 0.001 Å |
b | 5.6385 ± 0.001 Å |
c | 14.5256 ± 0.001 Å |
α | 90° |
β | 102.953 ± 0.01° |
γ | 90° |
Cell volume | 774.54 ± 0.17 Å3 |
Cell temperature | 5 K |
Ambient diffraction temperature | 5 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | A 1 2/a 1 |
Hall space group symbol | -A 2ya |
Residual factor for all reflections | 0.037 |
Residual factor for significantly intense reflections | 0.0273 |
Weighted residual factors for all reflections | 0.0237 |
Weighted residual factors for significantly intense reflections | 0.0234 |
Weighted residual factors for all reflections included in the refinement | 0.0234 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
Diffraction radiation wavelength | 0.8308 Å |
Diffraction radiation type | neutron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1551108.html
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Users of the data should acknowledge the original authors of the
structural data.