Crystallography Open Database

Information card for entry 4001574

Preview

Coordinates	4001574.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba3 Cu13.65 Te12
Calculated formula	Ba3 Cu13.6475 Te12
Title of publication	Thermoelectric Properties of the New Polytelluride Ba3Cu14-δTe12
Authors of publication	Assoud, Abdeljalil; Thomas, Stephanie; Sutherland, Brodie; Zhang, Huqin; Tritt, Terry M.; Kleinke, Holger
Journal of publication	Chemistry of Materials
Year of publication	2006
Journal volume	18
Journal issue	16
Pages of publication	3866
a	11.9091 ± 0.0018 Å
b	21.174 ± 0.004 Å
c	11.9826 ± 0.0018 Å
α	90°
β	117.071 ± 0.004°
γ	90°
Cell volume	2690.5 ± 0.8 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	3
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0591
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.0877
Weighted residual factors for all reflections included in the refinement	0.0919
Goodness-of-fit parameter for all reflections included in the refinement	1.131
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
178377 (current)	2016-03-20	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001574.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001574.cif
47636	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4001574 via cif-deposit CGI script.	4001574.cif