Crystallography Open Database

Information card for entry 4322570

Preview

Coordinates	4322570.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cu2 S2 Sm2 Te2
Calculated formula	Cu2 S2 Sm2 Te2
Title of publication	Syntheses, Structures, and Theoretical Study of LaCuSTe and SmCuSTe
Authors of publication	Fu Qiang Huang; James A. Ibers
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	5978 - 5983
a	7.5195 ± 0.0008 Å
b	12.637 ± 0.0014 Å
c	7.5287 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	715.41 ± 0.13 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0233
Residual factor for significantly intense reflections	0.023
Weighted residual factors for significantly intense reflections	0.0682
Weighted residual factors for all reflections included in the refinement	0.0684
Goodness-of-fit parameter for all reflections included in the refinement	1.425
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
179328 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/25.	4322570.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322570.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322570.cif
20881	2011-06-14	../uploads/cif-deposit/cod/cif Adding structures of 4322570 via cif-deposit CGI script.	4322570.cif