Crystallography Open Database

Information card for entry 1563382

Preview

Coordinates	1563382.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	As Ba H O4
Calculated formula	As Ba H O4
Title of publication	A new polymorph of Ba(AsO3OH): Synthesis, crystal structure and vibrational spectra
Authors of publication	Đorđević, Tamara; Karanović, Ljiljana
Journal of publication	Journal of Solid State Chemistry
Year of publication	2010
Journal volume	183
Journal issue	12
Pages of publication	2835 - 2844
a	7.237 ± 0.0002 Å
b	7.7133 ± 0.0002 Å
c	21.8079 ± 0.0005 Å
α	90°
β	96.073 ± 0.001°
γ	90°
Cell volume	1210.51 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0252
Residual factor for significantly intense reflections	0.0242
Weighted residual factors for significantly intense reflections	0.0671
Weighted residual factors for all reflections included in the refinement	0.0676
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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/1563382.html