Mo3Se4 crystallizes in the trigonal R-3 space group. Mo(1) is bonded to one Se(1) and four equivalent Se(2) atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. In the second Se site, Se(2) is bonded in a 4-coordinate geometry to four equivalent Mo(1) atoms.
Mo3Se4 crystallizes in the trigonal R-3 space group. Mo(1) is bonded to one Se(1) and four equivalent Se(2) atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. The Mo(1)-Se(1) bond length is 2.56 Å. There are a spread of Mo(1)-Se(2) bond distances ranging from 2.56-2.65 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. In the second Se site, Se(2) is bonded in a 4-coordinate geometry to four equivalent Mo(1) atoms.