Crystallography Open Database

Information card for entry 4343122

Preview

Coordinates	4343122.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ba2ThCrTe7
Formula	Ba2 Cr Te7 Th
Calculated formula	Ba2 Cr Te7 Th
Title of publication	Three New Quaternary Actinide Chalcogenides Ba2TiUTe7, Ba2CrUTe7, and Ba2CrThTe7: Syntheses, Crystal Structures, Transport Properties, and Theoretical Studies.
Authors of publication	Prakash, Jai; Mesbah, Adel; Beard, Jessica; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	7
Pages of publication	3688 - 3694
a	12.5766 ± 0.0002 Å
b	6.2297 ± 0.0001 Å
c	18.7183 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1466.55 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0212
Residual factor for significantly intense reflections	0.0164
Weighted residual factors for significantly intense reflections	0.0267
Weighted residual factors for all reflections included in the refinement	0.0275
Goodness-of-fit parameter for all reflections included in the refinement	1.288
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
137913 (current)	2015-06-04	cif/ Adding structures of 4343120, 4343121, 4343122 via cif-deposit CGI script.	4343122.cif