Crystallography Open Database

Information card for entry 4102326

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Coordinates	4102326.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl2 Cu3.25 H6 Mg0.75 O6
Calculated formula	Cl2 Cu3.252 H6 Mg0.748 O6
Title of publication	A Cu2+ (S = 1/2) Kagomé Antiferromagnet: MgxCu4-x(OH)6Cl2
Authors of publication	Shaoyan Chu; Tyrel M. McQueen; Robin Chisnell; Danna E. Freedman; Peter Müller; Young S. Lee; Daniel G. Nocera
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	5570 - 5571
a	6.8322 ± 0.0011 Å
b	6.8322 ± 0.0011 Å
c	13.96 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	564.34 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0172
Residual factor for significantly intense reflections	0.0162
Weighted residual factors for significantly intense reflections	0.0414
Weighted residual factors for all reflections included in the refinement	0.0421
Goodness-of-fit parameter for all reflections included in the refinement	1.194
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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