Crystallography Open Database

Information card for entry 4314913

Preview

Coordinates	4314913.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H4 O10 Th0.5 U0.5
Calculated formula	C4 H4 O10 Th0.5 U0.5
Title of publication	X-Ray Diffraction and μ-Raman Investigation of the Monoclinic-Orthorhombic Phase Transition in Th1-xUx(C2O4)2.2H2O Solid Solutions
Authors of publication	Nicolas Clavier; Nina Hingant; Murielle Rivenet; Saïd Obbade; Nicolas Dacheux; Nicole Barré; Francis Abraham
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	1921 - 1931
a	10.402 ± 0.0005 Å
b	8.4631 ± 0.0004 Å
c	9.6787 ± 0.0004 Å
α	90°
β	90.019 ± 0.002°
γ	90°
Cell volume	852.05 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0185
Residual factor for significantly intense reflections	0.0126
Weighted residual factors for significantly intense reflections	0.0268
Weighted residual factors for all reflections included in the refinement	0.029
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4314913.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314913.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314913.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4314913.cif
8056	2011-02-03	../uploads/cif-deposit/cod/cif Adding structures of 4314913 via cif-deposit CGI script.	4314913.cif