Crystallography Open Database

Information card for entry 4327810

Preview

Coordinates	4327810.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba Co S2
Calculated formula	Ba Co S2
Title of publication	Using High Pressure to Prepare Polymorphs of the Ba2Co1-xZnxS3 (0 <= x <= 1.0) Compounds
Authors of publication	Francesco Mezzadri; Edmondo Gilioli; Gianluca Calestani; Andrea Migliori; Mark R. Harrison; David A. Headspith; M. Grazia Francesconi
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	397 - 404
a	4.564 ± 0.001 Å
b	4.564 ± 0.001 Å
c	8.938 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	186.18 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	129
Hermann-Mauguin space group symbol	P 4/n m m :2
Hall space group symbol	-P 4a 2a
Residual factor for all reflections	0.0143
Residual factor for significantly intense reflections	0.0114
Weighted residual factors for significantly intense reflections	0.0252
Weighted residual factors for all reflections included in the refinement	0.0263
Goodness-of-fit parameter for all reflections included in the refinement	1.142
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
179381 (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 4/32/78.	4327810.cif
76732	2013-03-21	cif/ Adding structures of 4327810 via cif-deposit CGI script.	4327810.cif