Crystallography Open Database

Information card for entry 1548108

Preview

Coordinates	1548108.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	barium orthoborate
Formula	B2 Ba3 O6
Calculated formula	B2 Ba3 O6
Title of publication	BaO-B2O3 system and its mysterious member Ba3B2O6
Authors of publication	Bekker, Tatyana B.; Rashchenko, Sergey V.; Seryotkin, Yurii V.; Kokh, Alexander E.; Davydov, Aleksey V.; Fedorov, Pavel P.
Journal of publication	Journal of the American Ceramic Society
Year of publication	2018
Journal volume	101
Journal issue	1
Pages of publication	450
a	13.5923 ± 0.0004 Å
b	13.6702 ± 0.0004 Å
c	14.8894 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2766.59 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	55
Hermann-Mauguin space group symbol	P b a m
Hall space group symbol	-P 2 2ab
Residual factor for all reflections	0.1047
Residual factor for significantly intense reflections	0.0966
Weighted residual factors for significantly intense reflections	0.1873
Weighted residual factors for all reflections included in the refinement	0.1916
Goodness-of-fit parameter for all reflections included in the refinement	1.234
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/1548108.html