Crystallography Open Database

Information card for entry 4002170

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Coordinates	4002170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cu3.2 O30 Ta11
Calculated formula	Cu3.192 O30 Ta11
Title of publication	Cu-Deficiency in thep-Type Semiconductor Cu5‒xTa11O30: Impact on Its Crystalline Structure, Surfaces, and Photoelectrochemical Properties
Authors of publication	Sullivan, Ian; Sahoo, Prangya P.; Fuoco, Lindsay; Hewitt, Andrew S.; Stuart, Sean; Dougherty, Daniel; Maggard, Paul A.
Journal of publication	Chemistry of Materials
Year of publication	2014
Journal volume	26
Journal issue	23
Pages of publication	6711
a	6.2359 ± 0.0002 Å
b	6.2359 ± 0.0002 Å
c	32.2139 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	1084.86 ± 0.05 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	3
Space group number	190
Hermann-Mauguin space group symbol	P -6 2 c
Hall space group symbol	P -6c -2c
Residual factor for all reflections	0.0396
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0256
Weighted residual factors for all reflections included in the refinement	0.0256
Goodness-of-fit parameter for all reflections included in the refinement	1.88
Method of determination	powder diffraction
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
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.	4002170.cif
131168	2015-02-05	cif/ Adding structures of 4002170 via cif-deposit CGI script.	4002170.cif