Crystallography Open Database

Information card for entry 4000810

Preview

Coordinates	4000810.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	7.798 ± 0.015 Å
b	7.212 ± 0.014 Å
c	10.351 ± 0.019 Å
α	90°
β	93.97 ± 0.02°
γ	90°
Cell volume	580.7 ± 1.9 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	4
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	0.062
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1022
Weighted residual factors for all reflections included in the refinement	0.1087
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4000810.cif
114052	2014-05-21	cif/ Updating files of 4000810, 4000811 Original log message: Adding full bibliography for 4000810--4000811.cif.	4000810.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4000810.cif
34969	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 4000810 via cif-deposit CGI script.	4000810.cif