Results for “Cu(Mo3Se4)2”

Materials Data on Cu(Mo3Se4)2 by Materials Project

Cu(Mo3Se4)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mo+2.50+ is bonded to five Se2- atoms to form a mixture of edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.54–2.64 Å. Cu1+ is bonded in a distorted linear geometry to eight Se2- atoms. There are two shorter (2.34 Å) and six longer (3.29 Å) Cu–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to three equivalent Mo+2.50+ and one Cu1+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to four equivalent Mo+2.50+ and one Cu1+ atom.