Crystallography Open Database

Information card for entry 4000811

Preview

Coordinates	4000811.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cs2 Cu3 F12 Zr
Calculated formula	Cs2 Cu3 F12 Zr
Title of publication	Structural Phase Transition in theS=1/2Kagome System Cs2ZrCu3F12and a Comparison to the Valence-Bond-Solid Phase in Rb2SnCu3F12
Authors of publication	Reisinger, Sandra A.; Tang, Chiu C.; Thompson, Stephen P.; Morrison, Finlay D.; Lightfoot, Philip
Journal of publication	Chemistry of Materials
Year of publication	2011
Journal volume	23
Journal issue	18
Pages of publication	4234
a	7.156 ± 0.0019 Å
b	7.156 ± 0.0019 Å
c	20.447 ± 0.007 Å
α	90°
β	90°
γ	120°
Cell volume	906.8 ± 0.5 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	292 ± 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	0.0516
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.1041
Goodness-of-fit parameter for all reflections included in the refinement	1.223
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4000811.cif
114052	2014-05-21	cif/ Updating files of 4000810, 4000811 Original log message: Adding full bibliography for 4000810--4000811.cif.	4000811.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4000811.cif
34970	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 4000811 via cif-deposit CGI script.	4000811.cif