Crystallography Open Database

Information card for entry 4334984

Preview

Coordinates	4334984.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al Bi2 Br Cl4 Se2
Calculated formula	Al Bi2 Br Cl4 Se2
Title of publication	Semiconducting [(Bi4Te4Br2)(Al2Cl6-xBrx)]Cl2 and [Bi2Se2Br](AlCl4): Cationic Chalcogenide Frameworks from Lewis Acidic Ionic Liquids
Authors of publication	Kanishka Biswas; In Chung; Jung-Hwan Song; Christos D. Malliakas; Arthur J. Freeman; Mercouri G. Kanatzidis
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	5657 - 5659
a	6.8705 ± 0.0009 Å
b	8.2425 ± 0.001 Å
c	11.48 ± 0.0015 Å
α	69.096 ± 0.009°
β	73.458 ± 0.01°
γ	72.469 ± 0.009°
Cell volume	567.54 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0738
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.1566
Weighted residual factors for all reflections included in the refinement	0.1679
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
179452 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/49.	4334984.cif
100870	2014-02-07	cif/ Adding structures of 4334984 via cif-deposit CGI script.	4334984.cif