Crystallography Open Database

Information card for entry 4003878

Preview

Coordinates	4003878.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B12 Se15.8 Sn4
Calculated formula	B12 Se15.795 Sn4
Title of publication	Sn4−δB12Se12[Qx], Q = Se, Te, a B12 Cluster Tunnel Framework Hosting Neutral Chalcogen Chains
Authors of publication	Chica, Daniel G.; Spanopoulos, Ioannis; Hao, Shiqiang; Wolverton, Chris; Kanatzidis, Mercouri G.
Journal of publication	Chemistry of Materials
Year of publication	2021
a	13.5927 ± 0.0007 Å
b	13.5927 ± 0.0007 Å
c	9.8167 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	1570.75 ± 0.14 Å³
Cell temperature	292.98 K
Ambient diffraction temperature	292.98 K
Number of distinct elements	3
Space group number	182
Hermann-Mauguin space group symbol	P 63 2 2
Hall space group symbol	P 6c 2c
Residual factor for all reflections	0.019
Residual factor for significantly intense reflections	0.0166
Weighted residual factors for significantly intense reflections	0.0372
Weighted residual factors for all reflections included in the refinement	0.0378
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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/4003878.html