Materials Data on TlB(CN)4 by Materials Project

BTl(CN)4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional and consists of four boron molecules and one Tl(CN)4 framework. In the Tl(CN)4 framework, Tl1+ is bonded in a 8-coordinate geometry to eight equivalent N3- atoms. There are four shorter (3.03 Å) and four longer (3.32 Å) Tl–N bond lengths. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one C2+ atom.