Crystallography Open Database

Information card for entry 4333609

Preview

Coordinates	4333609.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cesium Uranium(IV) Phosphate-Phosphite
Formula	Cs4 H0 O39 P10 U6
Calculated formula	Cs4.04 O39.02 P10 U6
Title of publication	From Order to Disorder and Back Again: In Situ Hydrothermal Redox Reactions of Uranium Phosphites and Phosphates
Authors of publication	Eric M. Villa; Connor J. Marr; Juan Diwu; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	965 - 973
a	6.9321 ± 0.0005 Å
b	26.935 ± 0.0019 Å
c	10.9137 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2037.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	59
Hermann-Mauguin space group symbol	P m m n :2
Hall space group symbol	-P 2ab 2a
Residual factor for all reflections	0.041
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0978
Weighted residual factors for all reflections included in the refinement	0.1003
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179439 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/36.	4333609.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 {}'	4333609.cif
99405	2014-01-31	cif/ Adding structures of 4333609 via cif-deposit CGI script.	4333609.cif