Crystallography Open Database

Information card for entry 7058492

Preview

Coordinates	7058492.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B8 Ba4 Li3 O22 Sc3
Calculated formula	B8 Ba4 Li3 O22 Sc3
Title of publication	Li3Ba4Sc3(BO3)4(B2O5)2: featuring the coexistence of isolated BO3 and B2O5 units
Authors of publication	Meng, Xianghe; Xia, Mingjun; Li, Rukang
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	29
Pages of publication	11469
a	9.7959 ± 0.0003 Å
b	10.2519 ± 0.0002 Å
c	11.5878 ± 0.0003 Å
α	85.069 ± 0.002°
β	68.734 ± 0.002°
γ	62.795 ± 0.002°
Cell volume	960.02 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0229
Residual factor for significantly intense reflections	0.0196
Weighted residual factors for significantly intense reflections	0.049
Weighted residual factors for all reflections included in the refinement	0.0509
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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/7058492.html