Crystallography Open Database

Information card for entry 7706422

Preview

Coordinates	7706422.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B2 Ba Be2 F2 O6 Zn
Calculated formula	B2 Ba Be2 F2 O6 Zn
Title of publication	BaZnBe<sub>2</sub>(BO<sub>3</sub>)<sub>2</sub>F<sub>2</sub>: a novel zinc-beryllium borate with SBBO-type structure overcoming the polymorphism problem.
Authors of publication	Guo, Ruixin; Liu, Xiaomeng; Tao, Ce; Tang, Changcheng; Xia, Mingjun; Liu, Lijuan; Lin, Zheshuai; Wang, Xiaoyang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	6
Pages of publication	2138 - 2142
a	4.5998 ± 0.0005 Å
b	4.5998 ± 0.0005 Å
c	7.7037 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	141.16 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	6
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0211
Residual factor for significantly intense reflections	0.0203
Weighted residual factors for significantly intense reflections	0.049
Weighted residual factors for all reflections included in the refinement	0.05
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
262637 (current)	2021-03-05	cif/ Updating files of 7706422 Original log message: Adding full bibliography for 7706422.cif.	7706422.cif
260941	2021-01-14	cif/ Adding structures of 7706422 via cif-deposit CGI script.	7706422.cif