Materials Data on Cr2CoTe4 by Materials Project

Abstract

Cr2CoTe4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Cr3+ is bonded to six Te2- atoms to form CrTe6 octahedra that share corners with six equivalent CoTe6 octahedra, edges with six equivalent CrTe6 octahedra, and a faceface with one CoTe6 octahedra. The corner-sharing octahedra tilt angles range from 49–53°. There are a spread of Cr–Te bond distances ranging from 2.69–2.80 Å. Co2+ is bonded to six Te2- atoms to form CoTe6 octahedra that share corners with twelve equivalent CrTe6 octahedra, edges with two equivalent CoTe6 octahedra, and faces with two equivalent CrTe6 octahedra. The corner-sharing octahedra tilt angles range from 49–53°. There are two shorter (2.65 Å) and four longer (2.70 Å) Co–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to three equivalent Cr3+ and two equivalent Co2+ atoms. In the second Te2- site, Te2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr3+ and one Co2+ atom.