Materials Data on KHgC2IN2 by Materials Project
KHgC2N2I crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to six equivalent N3- and two equivalent I1- atoms. There are four shorter (3.02 Å) and two longer (3.40 Å) K–N bond lengths. Both K–I bond lengths are 3.77 Å. Hg2+ is bonded in a distorted linear geometry to two equivalent C2+ and four equivalent I1- atoms. Both Hg–C bond lengths are 2.06 Å. All Hg–I bond lengths are 3.45 Å. C2+ is bonded in a linear geometry to one Hg2+ and one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a distorted single-bond geometry to three equivalent K1+ and one C2+ atom. I1- is bonded to two equivalent K1+ and four equivalent Hg2+ atoms to form a mixture of distorted corner, edge, and face-sharing IK2Hg4 pentagonal pyramids.