Crystallography Open Database

Information card for entry 4334985

Preview

Coordinates	4334985.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al2 Bi4 Br2.54 Cl7.46 Te4
Calculated formula	Al2 Bi4 Br2.538 Cl7.462 Te4
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	6.966 ± 0.0006 Å
b	8.4658 ± 0.0007 Å
c	11.4626 ± 0.001 Å
α	68.343 ± 0.007°
β	75.142 ± 0.007°
γ	72.289 ± 0.007°
Cell volume	590.5 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1271
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1177
Weighted residual factors for all reflections included in the refinement	0.1466
Goodness-of-fit parameter for all reflections included in the refinement	0.969
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.	4334985.cif
100871	2014-02-07	cif/ Adding structures of 4334985 via cif-deposit CGI script.	4334985.cif