Crystallography Open Database

Information card for entry 7208231

7208230 << 7208231 >> 7208232

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Structure parameters

Formula	B6 Ba2 Mg O12
Calculated formula	B6 Ba2 Mg O12
SMILES	B1([O-])OB([O-])OB(O1)[O-].[Mg+2].[O-]B1OB(OB(O1)[O-])[O-].[Ba+2].[Ba+2]
Title of publication	Chemical engineering of a birefringent crystal transparent in the deep UV range
Authors of publication	Li, R. K.; Ma, Yingying
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	17
Pages of publication	5421
a	7.094 ± 0.005 Å
b	7.094 ± 0.005 Å
c	16.721 ± 0.015 Å
α	90°
β	90°
γ	120°
Cell volume	728.7 ± 1 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0321
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0595
Weighted residual factors for all reflections included in the refinement	0.0686
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301863 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure.	7208231.cif
180413	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/82.	7208231.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208231.cif
64228	2012-08-11	cif/ Adding structures of 7208231 via cif-deposit CGI script.	7208231.cif