Crystallography Open Database

Information card for entry 7711121

Preview

Coordinates	7711121.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba2 F3 I O9 W2
Calculated formula	Ba2 F3 I O9 W2
Title of publication	Ba2[WO3F(IO3)][WO3F2]: The First Polar Fluorinated Tungsten Iodate Featuring the Direct W-O-I Bond
Authors of publication	Hou, Ying; Li, Hongyi; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng
Journal of publication	Dalton Transactions
Year of publication	2022
a	7.691 ± 0.006 Å
b	20.655 ± 0.013 Å
c	7.418 ± 0.005 Å
α	90°
β	120.89 ± 0.02°
γ	90°
Cell volume	1011.3 ± 1.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0412
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0571
Weighted residual factors for all reflections included in the refinement	0.0597
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7711121.html