LaMo6Se8 crystallizes in the trigonal R-3 space group. La(1) is bonded in a body-centered cubic geometry to two equivalent Se(2) and six equivalent Se(1) atoms. Mo(1) is bonded to one Se(2) and four equivalent Se(1) atoms to form a mixture of distorted corner and edge-sharing MoSe5 square pyramids. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one La(1) and four equivalent Mo(1) atoms to form a mixture of distorted corner and edge-sharing SeLaMo4 trigonal bipyramids. In the second Se site, Se(2) is bonded in a 4-coordinate geometry to one La(1) and three equivalent Mo(1) atoms.
LaMo6Se8 crystallizes in the trigonal R-3 space group. La(1) is bonded in a body-centered cubic geometry to two equivalent Se(2) and six equivalent Se(1) atoms. Both La(1)-Se(2) bond lengths are 2.95 Å. All La(1)-Se(1) bond lengths are 3.18 Å. Mo(1) is bonded to one Se(2) and four equivalent Se(1) atoms to form a mixture of distorted corner and edge-sharing MoSe5 square pyramids. The Mo(1)-Se(2) bond length is 2.53 Å. There are a spread of Mo(1)-Se(1) bond distances ranging from 2.60-2.78 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one La(1) and four equivalent Mo(1) atoms to form a mixture of distorted corner and edge-sharing SeLaMo4 trigonal bipyramids. In the second Se site, Se(2) is bonded in a 4-coordinate geometry to one La(1) and three equivalent Mo(1) atoms.