Crystallography Open Database

Information card for entry 1508441

Preview

Coordinates	1508441.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cu F H5 O12 S2 Tb2
Calculated formula	Cu F H5 O12 S2 Tb2
Title of publication	Synthesis and structures of a series of novel rare earth transition metal sulfates
Authors of publication	Xiqu Wang; Lumei Liu; Allan J. Jacobson
Journal of publication	Journal of rare earths
Year of publication	2006
Journal volume	24
Journal issue	6
Pages of publication	659 - 662
a	11.6889 ± 0.0007 Å
b	6.866 ± 0.0004 Å
c	12.528 ± 0.0008 Å
α	90°
β	97.092 ± 0.001°
γ	90°
Cell volume	997.75 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.037
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.1039
Weighted residual factors for all reflections included in the refinement	0.1048
Goodness-of-fit parameter for all reflections included in the refinement	1.18
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1508441.cif
93852	2014-01-17	cif/1/50/84/ Fixing values of _publ_author_name tag. Adding DOIs.	1508441.cif
69257	2012-12-05	cif/ Adding structures of 1508441 via cif-deposit CGI script.	1508441.cif