Crystallography Open Database

Information card for entry 4000970

Preview

Coordinates	4000970.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba3 Cu14.35 Se8.55 Te2.45
Calculated formula	Ba3 Cu14.354 Se6.93 Te2.38
Title of publication	Crystal Structure and Physical Properties of the New Selenide−Tellurides Ba3Cu17−x(Se,Te)11
Authors of publication	Kuropatwa, Bryan; Cui, Yanjie; Assoud, Abdeljalil; Kleinke, Holger
Journal of publication	Chemistry of Materials
Year of publication	2009
Journal volume	21
Journal issue	1
Pages of publication	88
a	12.1718 ± 0.0004 Å
b	12.1718 ± 0.0004 Å
c	28.197 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	3617.8 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0642
Residual factor for significantly intense reflections	0.063
Weighted residual factors for significantly intense reflections	0.1254
Weighted residual factors for all reflections included in the refinement	0.1259
Goodness-of-fit parameter for all reflections included in the refinement	1.177
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.	4000970.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4000970.cif
38852	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4000970 via cif-deposit CGI script.	4000970.cif