Crystallography Open Database

Information card for entry 4103367

Preview

Coordinates	4103367.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al Bi2 Br Cl4 Te2
Calculated formula	Al Bi2 Br Cl4 Te2
Title of publication	Synthesis in Ionic Liquids: [Bi2Te2Br](AlCl4), a Direct Gap Semiconductor with a Cationic Framework
Authors of publication	Kanishka Biswas; Qichun Zhang; In Chung; Jung-Hwan Song; John Androulakis; Arthur J. Freeman; Mercouri G. Kanatzidis
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	14760 - 14762
a	21.2247 ± 0.0013 Å
b	8.4778 ± 0.0003 Å
c	13.2264 ± 0.001 Å
α	90°
β	99.28 ± 0.005°
γ	90°
Cell volume	2348.8 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0664
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.1104
Weighted residual factors for all reflections included in the refinement	0.1229
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
178779 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/33.	4103367.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103367.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103367.cif
26348	2011-09-21	../uploads/cif-deposit/cod/cif Adding structures of 4103367 via cif-deposit CGI script.	4103367.cif