Crystallography Open Database

Information card for entry 7227499

Preview

Coordinates	7227499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba8 Ga2 Se18 Sn7
Calculated formula	Ba8 Ga2 Se18 Sn7
Title of publication	Centrosymmetric to noncentrosymmetric structural transformation of new quaternary selenides induced by isolated dimeric [Sn2Se4] units: from Ba8Ga2Sn7Se18 to Ba10Ga2Sn9Se22
Authors of publication	Li, Yan-Yan; Wang, Jin-Qiu; Liu, Peng-Fei; Lin, Hua; Chen, Ling; Wu, Li-Ming
Journal of publication	RSC Adv.
Year of publication	2017
Journal volume	7
Journal issue	14
Pages of publication	8082
a	12.466 ± 0.009 Å
b	9.358 ± 0.006 Å
c	18.136 ± 0.013 Å
α	90°
β	90°
γ	90°
Cell volume	2116 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.092
Weighted residual factors for all reflections included in the refinement	0.0959
Goodness-of-fit parameter for all reflections included in the refinement	1.137
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/7227499.html