Crystallography Open Database

Information card for entry 7217015

Preview

Coordinates	7217015.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba Cu2 S2
Calculated formula	Ba Cu2 S2
Title of publication	Low Temperature Synthesis and Structures of the Alkaline Earth Metal Chalcogenides Ba3Cu4SbS6OH, BaCuSbS3 and BaCu2S2
Authors of publication	Ma, Zhimin; Weng, Fan; Wang, Qiuran; Tang, Qun; Zhang, Ganghua; Chong, Zheng; Han, Ray P.S.; Huang, Fu Qiang
Journal of publication	RSC Advances
Year of publication	2014
a	9.2458 ± 0.0009 Å
b	10.3523 ± 0.001 Å
c	4.0389 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	386.58 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0354
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.0671
Weighted residual factors for all reflections included in the refinement	0.072
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
180501 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/70.	7217015.cif
118938	2014-07-03	cif/ Adding structures of 7217015, 7217016, 7217017 via cif-deposit CGI script.	7217015.cif