Materials Data on BaC2(SN)2 by Materials Project
Ba(SCN)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to four equivalent N3- and four equivalent S2- atoms. All Ba–N bond lengths are 2.87 Å. There are two shorter (3.34 Å) and two longer (3.41 Å) Ba–S bond lengths. C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.19 Å. The C–S bond length is 1.63 Å. N3- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one C4+ atom. S2- is bonded in a 3-coordinate geometry to two equivalent Ba2+ and one C4+ atom.