Crystallography Open Database

Information card for entry 1560771

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Coordinates	1560771.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Br Cu3.67 F H6 O6 Zn0.34
Calculated formula	Br Cu3.6666 F H6 O6 Zn0.3333
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	6.668 ± 0.0004 Å
b	6.668 ± 0.0004 Å
c	9.3036 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	358.24 ± 0.04 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
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	0.0349
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0771
Weighted residual factors for all reflections included in the refinement	0.0786
Goodness-of-fit parameter for all reflections included in the refinement	1.155
Diffraction radiation wavelength	0.41328 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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