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Information card for entry 4000957
Preview
Coordinates | 4000957.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Sodium uranoborate |
---|---|
Formula | B10 Na O24 U2 |
Calculated formula | B10 Na O24 U2 |
Title of publication | Polarity and Chirality in Uranyl Borates: Insights into Understanding the Vitrification of Nuclear Waste and the Development of Nonlinear Optical Materials |
Authors of publication | Wang, Shuao; Alekseev, Evgeny V.; Ling, Jie; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E. |
Journal of publication | Chemistry of Materials |
Year of publication | 2010 |
Journal volume | 22 |
Journal issue | 6 |
Pages of publication | 2155 |
a | 6.4334 ± 0.0014 Å |
b | 6.4334 ± 0.0014 Å |
c | 35.586 ± 0.008 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 1275.5 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 145 |
Hermann-Mauguin space group symbol | P 32 |
Hall space group symbol | P 32 |
Residual factor for all reflections | 0.0402 |
Residual factor for significantly intense reflections | 0.0364 |
Weighted residual factors for significantly intense reflections | 0.066 |
Weighted residual factors for all reflections included in the refinement | 0.0669 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.948 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178377 (current) | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4000957.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 {}' |
4000957.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4000957.cif |
36602 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 4000957, 4000958, 4000959, 4000960, 4000961, 4000962, 4000963, 4000964 via cif-deposit CGI script. |
4000957.cif |
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