Crystallography Open Database

Information card for entry 4000795

Preview

Coordinates	4000795.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cu1.75 K0.25 Pr0.67 Te2
Calculated formula	Cu1.746 K0.254 Pr0.666667 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	9.9598 ± 0.0007 Å
b	9.9598 ± 0.0007 Å
c	4.1763 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	358.78 ± 0.06 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	0.0203
Residual factor for significantly intense reflections	0.02
Weighted residual factors for significantly intense reflections	0.0438
Weighted residual factors for all reflections included in the refinement	0.0439
Goodness-of-fit parameter for all reflections included in the refinement	1.259
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.	4000795.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4000795.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.	4000795.cif