Crystallography Open Database

Information card for entry 7227500

Preview

Coordinates	7227500.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba10 Ga2 Se22 Sn9
Calculated formula	Ba10 Ga2 Se22 Sn9
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	9.3844 ± 0.0011 Å
b	44.834 ± 0.006 Å
c	12.4159 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	5223.9 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.048
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.0873
Weighted residual factors for all reflections included in the refinement	0.0897
Goodness-of-fit parameter for all reflections included in the refinement	0.981
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/7227500.html