Crystallography Open Database

Information card for entry 1560769

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Coordinates	1560769.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	barlowite
Formula	Br Cu4 F H6 O6
Calculated formula	Br Cu3.9999 F H6 O6
Title of publication	Synthesis-dependent properties of barlowite and Zn-substituted barlowite
Authors of publication	Smaha, Rebecca W.; He, Wei; Sheckelton, John P.; Wen, Jiajia; Lee, Young S.
Journal of publication	Journal of Solid State Chemistry
Year of publication	2018
Journal volume	268
Pages of publication	123 - 129
a	6.6704 ± 0.0002 Å
b	6.6704 ± 0.0002 Å
c	9.2864 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	357.834 ± 0.017 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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
Residual factor for all reflections	0.0207
Residual factor for significantly intense reflections	0.0207
Weighted residual factors for significantly intense reflections	0.0456
Weighted residual factors for all reflections included in the refinement	0.0456
Goodness-of-fit parameter for all reflections included in the refinement	1.234
Diffraction radiation wavelength	0.41328 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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