Crystallography Open Database

Information card for entry 7030072

Preview

Coordinates	7030072.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba4 F4 Fe Ga2 S6
Calculated formula	Ba4 F4 Fe Ga2 S6
Title of publication	Syntheses and characterizations of compounds Ba4F4XGa2S6 (X = Cr, Mn, Fe) and Ba4F4MnIn2S6 with 2D layered structures.
Authors of publication	Luo, Zhong-Zhen; Lin, Chen-Sheng; Cheng, Wen-Dan; Li, Yuan-Bing; Zhang, Hao; Zhang, Wei-Long; He, Zhang-Zhen
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	27
Pages of publication	9938 - 9945
a	12.694 ± 0.008 Å
b	18.867 ± 0.013 Å
c	6.116 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1464.8 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0608
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1325
Weighted residual factors for all reflections included in the refinement	0.1537
Goodness-of-fit parameter for all reflections included in the refinement	0.991
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
180006 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/00.	7030072.cif
111378	2014-04-22	cif/ Adding structures of 7030070, 7030071, 7030072, 7030073 via cif-deposit CGI script.	7030072.cif