Materials Data on K2CdN12 by Materials Project

Abstract

K2CdN12 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight N+0.33- atoms. There are a spread of K–N bond distances ranging from 2.85–3.37 Å. Cd2+ is bonded to six N+0.33- atoms to form edge-sharing CdN6 octahedra. There are two shorter (2.35 Å) and four longer (2.44 Å) Cd–N bond lengths. There are six inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a 4-coordinate geometry to one K1+, two equivalent Cd2+, and one N+0.33- atom. The N–N bond length is 1.20 Å. In the second N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. The N–N bond length is 1.17 Å. In the third N+0.33- site, N+0.33- is bonded in a 3-coordinate geometry to two equivalent K1+ and one N+0.33- atom. In the fourth N+0.33- site, N+0.33- is bonded in a 4-coordinate geometry to two equivalent K1+, one Cd2+, and one N+0.33- atom. The N–N bond length is 1.20 Å. In the fifth N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. The N–N bond length is 1.18 Å. In the sixth N+0.33- site, N+0.33- is bonded in a 4-coordinate geometry to three equivalent K1+ and one N+0.33- atom.