Crystallography Open Database

Information card for entry 4000806

Preview

Coordinates	4000806.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cu O4 W
Calculated formula	Cu O4 W
Title of publication	Structure Solution of the High-Pressure Phase of CuWO4and Evolution of the Jahn‒Teller Distortion
Authors of publication	Ruiz-Fuertes, J.; Friedrich, A.; Pellicer-Porres, J.; Errandonea, D.; Segura, A.; Morgenroth, W.; Haussühl, E.; Tu, C.-Y.; Polian, A.
Journal of publication	Chemistry of Materials
Year of publication	2011
Journal volume	23
Journal issue	18
Pages of publication	4220
a	4.62 ± 0.002 Å
b	5.747 ± 0.009 Å
c	4.857 ± 0.003 Å
α	91.34 ± 0.1°
β	91.48 ± 0.05°
γ	84.68 ± 0.09°
Cell volume	128.3 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0431
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0917
Weighted residual factors for all reflections included in the refinement	0.0934
Goodness-of-fit parameter for all reflections included in the refinement	1.127
Diffraction radiation wavelength	0.45 Å
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.	4000806.cif
114051	2014-05-21	cif/ Updating files of 4000806, 4000807, 4000808, 4000809 Original log message: Adding full bibliography for 4000806--4000809.cif.	4000806.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4000806.cif
34965	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 4000806 via cif-deposit CGI script.	4000806.cif