Materials Data on TlCoMo2 by Materials Project

Abstract

Mo2CoTl crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded to four equivalent Mo and four equivalent Tl atoms to form distorted edge-sharing MoTl4Mo4 tetrahedra. All Mo–Mo bond lengths are 2.76 Å. All Mo–Tl bond lengths are 2.76 Å. In the second Mo site, Mo is bonded in a 4-coordinate geometry to four equivalent Mo, four equivalent Co, and six equivalent Tl atoms. All Mo–Co bond lengths are 2.76 Å. All Mo–Tl bond lengths are 3.19 Å. Co is bonded in a distorted body-centered cubic geometry to four equivalent Mo and four equivalent Tl atoms. All Co–Tl bond lengths are 2.76 Å. Tl is bonded in a distorted body-centered cubic geometry to ten Mo and four equivalent Co atoms.