Crystallography Open Database

Information card for entry 4316033

Preview

Coordinates	4316033.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba2 Cu3.19 Se0.29 Te4.71
Calculated formula	Ba2 Cu3.19 Se0.288 Te4.712
Title of publication	Structure Change via Partial Se/Te Substitution: Crystal Structure and Physical Properties of the Telluride Ba2Cu4-xTe5 in Contrast to the Selenide-Telluride Ba2Cu4-xSeyTe5-y
Authors of publication	Oottil Mayasree; Yanjie Cui; Abdeljalil Assoud; Holger Kleinke
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	6518 - 6524
a	6.6049 ± 0.0007 Å
b	6.6049 ± 0.0007 Å
c	26.026 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1135.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0245
Residual factor for significantly intense reflections	0.0211
Weighted residual factors for significantly intense reflections	0.0421
Weighted residual factors for all reflections included in the refinement	0.0452
Goodness-of-fit parameter for all reflections included in the refinement	0.906
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
179240 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/60.	4316033.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316033.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316033.cif
9207	2011-02-09	../uploads/cif-deposit/cod/cif Adding structures of 4316033 via cif-deposit CGI script.	4316033.cif