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Information card for entry 4308169
Preview
| Coordinates | 4308169.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | neptunium(IV) iodate hydrate |
|---|---|
| Formula | I4.03 Np O13 |
| Calculated formula | I4.03 Np O13 |
| Title of publication | Critical Role of Water Content in the Formation and Reactivity of Uranium, Neptunium, and Plutonium Iodates under Hydrothermal Conditions: Implications for the Oxidative Dissolution of Spent Nuclear Fuel |
| Authors of publication | Travis H. Bray; Jie Ling; Eun Sang Choi; James S. Brooks; James V. Beitz; Richard E. Sykora; Richard G. Haire; David M. Stanbury; Thomas E. Albrecht-Schmitt |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Pages of publication | 3663 - 3668 |
| a | 21.8675 ± 0.001 Å |
| b | 21.8675 ± 0.001 Å |
| c | 12.9705 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 5371.4 ± 0.5 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 161 |
| Hermann-Mauguin space group symbol | R 3 c :H |
| Hall space group symbol | R 3 -2"c |
| Residual factor for all reflections | 0.044 |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for significantly intense reflections | 0.087 |
| Weighted residual factors for all reflections included in the refinement | 0.088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179119 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/81. |
4308169.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4308169.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4308169.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4308169.cif |
| 1194 | 2010-06-06 | cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory. |
4308169.cif |
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Users of the data should acknowledge the original authors of the
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