Crystallography Open Database

Information card for entry 4512539

Preview

Coordinates	4512539.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Copper (I) Tantalum (V) Oxide (2/4/11)
Formula	Cu2 O11 Ta4
Calculated formula	Cu2.01 O11 Ta4
Title of publication	Synthesis, Structure, and Thermal Instability of the Cu2Ta4O11Phase
Authors of publication	King, Nacole; Sommer, Roger D.; Watkins-Curry, Pilanda; Chan, Julia Y.; Maggard, Paul A.
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	2
Pages of publication	552
a	6.219 ± 0.0002 Å
b	6.219 ± 0.0002 Å
c	37.1067 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	1242.87 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	167
Hermann-Mauguin space group symbol	R -3 c
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0236
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.0666
Weighted residual factors for all reflections included in the refinement	0.0666
Goodness-of-fit parameter for all reflections included in the refinement	1.377
Diffraction radiation probe	x-ray
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
179672 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/25.	4512539.cif
132763	2015-03-04	cif/ Updating files of 4512539 Original log message: Adding full bibliography for 4512539.cif.	4512539.cif
129725	2015-01-17	cif/ Adding structures of 4512539 via cif-deposit CGI script.	4512539.cif