Materials Data on K5(CN2)3 by Materials Project

Abstract

K5(CN2)3 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six equivalent N+2.83- atoms to form face-sharing KN6 octahedra. All K–N bond lengths are 2.80 Å. In the second K1+ site, K1+ is bonded to six equivalent N+2.83- atoms to form a mixture of edge, corner, and face-sharing KN6 octahedra. The corner-sharing octahedral tilt angles are 30°. All K–N bond lengths are 2.96 Å. C4+ is bonded in a linear geometry to two equivalent N+2.83- atoms. Both C–N bond lengths are 1.24 Å. N+2.83- is bonded in a 1-coordinate geometry to five K1+ and one C4+ atom.