Crystallography Open Database

Information card for entry 4329112

Preview

Coordinates	4329112.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba2 Cu6.64 Te6
Calculated formula	Ba2 Cu6.639 Te6
Title of publication	Crystal Structure and Physical Properties of the New One-Dimensional Metal Ba2Cu7-xTe6
Authors of publication	Bryan A. Kuropatwa; Abdeljalil Assoud; Holger Kleinke
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	5299 - 5304
a	6.8591 ± 0.0007 Å
b	12.1439 ± 0.0012 Å
c	9.0198 ± 0.0009 Å
α	90°
β	110.751 ± 0.0014°
γ	90°
Cell volume	702.58 ± 0.12 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0507
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.122
Weighted residual factors for all reflections included in the refinement	0.1231
Goodness-of-fit parameter for all reflections included in the refinement	1.571
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
179394 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/91.	4329112.cif
78152	2013-04-01	cif/ Adding structures of 4329112 via cif-deposit CGI script.	4329112.cif