Materials Data on Mn(CuSe)2 by Materials Project
Mn(CuSe)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 Se2- atoms. All Mn–Cu bond lengths are 2.55 Å. There are three shorter (2.75 Å) and three longer (2.91 Å) Mn–Se bond lengths. There are three inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a 6-coordinate geometry to two equivalent Mn2+ and four Se2- atoms. There are two shorter (2.47 Å) and two longer (2.53 Å) Cu–Se bond lengths. In the second Cu1+ site, Cu1+ is bonded in a tetrahedral geometry to four equivalent Se2- atoms. All Cu–Se bond lengths are 2.46 Å. In the third Cu1+ site, Cu1+ is bonded in a tetrahedral geometry to four equivalent Se2- atoms. All Cu–Se bond lengths are 2.58 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to three equivalent Mn2+ and four Cu1+ atoms. In the second Se2- site, Se2- is bonded in a 7-coordinate geometry to three equivalent Mn2+ and four Cu1+ atoms.