Crystallography Open Database

Information card for entry 4000804

Preview

Coordinates	4000804.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cs0.25 Cu1.75 Nd0.67 Te2
Calculated formula	Cs0.249333 Cu1.75 Nd0.666667 Te2
Title of publication	Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)
Authors of publication	Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling
Journal of publication	Chemistry of Materials
Year of publication	2011
Journal volume	23
Journal issue	22
Pages of publication	4910
a	10.0695 ± 0.0009 Å
b	10.0695 ± 0.0009 Å
c	4.1461 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	364.07 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.0242
Residual factor for significantly intense reflections	0.0235
Weighted residual factors for significantly intense reflections	0.0443
Weighted residual factors for all reflections included in the refinement	0.0446
Goodness-of-fit parameter for all reflections included in the refinement	1.246
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)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4000804.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4000804.cif
34963	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 4000793, 4000794, 4000795, 4000796, 4000797, 4000798, 4000799, 4000800, 4000801, 4000802, 4000803, 4000804 via cif-deposit CGI script.	4000804.cif