Materials Data on Mn(CuTe)2 by Materials Project

Abstract

Mn(CuTe)2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mn2+ is bonded in a 9-coordinate geometry to three equivalent Cu1+ and six Te2- atoms. All Mn–Cu bond lengths are 2.64 Å. There are three shorter (2.95 Å) and three longer (3.06 Å) Mn–Te bond lengths. There are three inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a 4-coordinate geometry to two equivalent Mn2+ and four Te2- atoms. There are two shorter (2.64 Å) and two longer (2.65 Å) Cu–Te bond lengths. In the second Cu1+ site, Cu1+ is bonded in a tetrahedral geometry to four equivalent Te2- atoms. All Cu–Te bond lengths are 2.57 Å. In the third Cu1+ site, Cu1+ is bonded in a tetrahedral geometry to four equivalent Te2- atoms. All Cu–Te bond lengths are 2.72 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to three equivalent Mn2+ and four Cu1+ atoms. In the second Te2- site, Te2- is bonded in a 7-coordinate geometry to three equivalent Mn2+ and four Cu1+ atoms.