Crystallography Open Database

Information card for entry 4335397

Preview

Coordinates	4335397.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	P0.67 S2.33 U0.33
Calculated formula	P0.666667 S2.33333 U0.333333
Title of publication	Synthesis, Structure, and Spectroscopy of Two Ternary Uranium(IV) Thiophosphates: UP2S9 and UP2S7 Containing P2S92- and P2S72- Ligands
Authors of publication	Jean-Marie Babo; Laurent Jouffret; Jian Lin; Eric M. Villa; Thomas E. Albrecht-Schmitt
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7747 - 7751
a	8.921 ± 0.003 Å
b	15.198 ± 0.004 Å
c	30.104 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	4082 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.0298
Residual factor for significantly intense reflections	0.0219
Weighted residual factors for significantly intense reflections	0.0363
Weighted residual factors for all reflections included in the refinement	0.0384
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
179456 (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 4/33/53.	4335397.cif
101324	2014-02-11	cif/ Adding structures of 4335397 via cif-deposit CGI script.	4335397.cif