Crystallography Open Database

Information card for entry 7124080

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Coordinates	7124080.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Br Cu4 F H6 O6
Calculated formula	Br Cu3.99999 F H6 O6
Title of publication	Order-Disorder Transition in the S = ½ Kagome Antiferromagnets Claringbullite and Barlowite
Authors of publication	Henderson, Alyssa May; Dong, Lianyang; Biswas, Sananda; Revell, Hannah; Xin, Yan; Valenti, Roser; Schlueter, John A.; Siegrist, Theo
Journal of publication	Chemical Communications
Year of publication	2019
a	6.675463 ± 0.000015 Å
b	6.675463 Å
c	9.2989 ± 0.000023 Å
α	90°
β	90°
γ	120°
Cell volume	358.86 ± 0.0012 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
RFsqd	0.10554
Goodness-of-fit parameter for all reflections	1.8
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.414545 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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