Crystallography Open Database

Information card for entry 4508261

Preview

Coordinates	4508261.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Bi4 Fe S7
Calculated formula	Bi4 Fe S7
Title of publication	From One-Dimensional Linear Chain to Two-Dimensional Layered Chalcogenides XBi4S7(X = Mn, Fe): Syntheses, Crystal and Electronic Structures, and Physical Properties
Authors of publication	Luo, Zhong-Zhen; Lin, Chen-Sheng; Cheng, Wen-Dan; Zhang, Wei-Long; Li, Yuan-Bing; Yang, Yi; Zhang, Hao; He, Zhang-Zhen
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	9
Pages of publication	4118
a	12.823 ± 0.019 Å
b	3.987 ± 0.006 Å
c	11.878 ± 0.018 Å
α	90°
β	104.38 ± 0.02°
γ	90°
Cell volume	588.2 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0528
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.0937
Weighted residual factors for all reflections included in the refinement	0.0997
Goodness-of-fit parameter for all reflections included in the refinement	0.987
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
179618 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/82.	4508261.cif
88978	2013-10-09	cif/ Adding structures of 4508260, 4508261 via cif-deposit CGI script.	4508261.cif