Crystallography Open Database

Information card for entry 7062379

Preview

Coordinates	7062379.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B6 O12 Sr Zn2
Calculated formula	B6 O12 Sr Zn2
Title of publication	Discovery of SrZn2B6O12 with an unprecedented quadruple-layered configuration
Authors of publication	Long, Xiangyu; Lv, Yan; Wu, Xueyan
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	13
Pages of publication	6041 - 6044
a	6.5206 ± 0.0004 Å
b	6.5408 ± 0.0004 Å
c	11.4026 ± 0.0007 Å
α	79.29 ± 0.002°
β	83.151 ± 0.002°
γ	61.048 ± 0.002°
Cell volume	417.89 ± 0.05 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0439
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0778
Weighted residual factors for all reflections included in the refinement	0.0828
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation probe	x-ray
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/7062379.html