Crystallography Open Database

Information card for entry 4324118

Preview

Coordinates	4324118.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	barium tetrathallide
Formula	Ba Tl4
Calculated formula	Ba Tl4
Title of publication	Synthesis, Structure, and Bonding of BaTl4. Size Effects on Encapsulation of Cations in Electron-Poor Metal Networks
Authors of publication	Jing-Cao Dai; Shalabh Gupta; John D. Corbett
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	238 - 244
a	12.408 ± 0.003 Å
b	5.351 ± 0.0011 Å
c	10.383 ± 0.002 Å
α	90°
β	116 ± 0.03°
γ	90°
Cell volume	619.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	2
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	0.064
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.1019
Weighted residual factors for all reflections included in the refinement	0.105
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
179344 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/41.	4324118.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324118.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4324118.cif
24409	2011-08-23	../uploads/cif-deposit/cod/cif Adding structures of 4324118 via cif-deposit CGI script.	4324118.cif