CsMo6Te7 crystallizes in the trigonal R-3 space group. Cs(1) is bonded in a 10-coordinate geometry to one Te(3), three equivalent Te(1), and six equivalent Te(2) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 9-coordinate geometry to two equivalent Mo(1), two equivalent Mo(2), one Te(2), one Te(3), and three equivalent Te(1) atoms. In the second Mo site, Mo(2) is bonded in a 10-coordinate geometry to two equivalent Mo(1), four equivalent Mo(2), one Te(1), and three equivalent Te(2) atoms. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted pentagonal planar geometry to one Cs(1), one Mo(2), and three equivalent Mo(1) atoms. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to two equivalent Cs(1), one Mo(1), and three equivalent Mo(2) atoms. In the third Te site, Te(3) is bonded in a 4-coordinate geometry to one Cs(1) and three equivalent Mo(1) atoms.
CsMo6Te7 crystallizes in the trigonal R-3 space group. Cs(1) is bonded in a 10-coordinate geometry to one Te(3), three equivalent Te(1), and six equivalent Te(2) atoms. The Cs(1)-Te(3) bond length is 3.98 Å. All Cs(1)-Te(1) bond lengths are 4.01 Å. There are three shorter (3.84 Å) and three longer (4.19 Å) Cs(1)-Te(2) bond lengths. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 9-coordinate geometry to two equivalent Mo(1), two equivalent Mo(2), one Te(2), one Te(3), and three equivalent Te(1) atoms. Both Mo(1)-Mo(1) bond lengths are 2.62 Å. There is one shorter (2.76 Å) and one longer (2.81 Å) Mo(1)-Mo(2) bond length. The Mo(1)-Te(2) bond length is 2.84 Å. The Mo(1)-Te(3) bond length is 2.72 Å. There are a spread of Mo(1)-Te(1) bond distances ranging from 2.82-2.92 Å. In the second Mo site, Mo(2) is bonded in a 10-coordinate geometry to two equivalent Mo(1), four equivalent Mo(2), one Te(1), and three equivalent Te(2) atoms. There are two shorter (2.67 Å) and two longer (2.74 Å) Mo(2)-Mo(2) bond lengths. The Mo(2)-Te(1) bond length is 2.80 Å. There are a spread of Mo(2)-Te(2) bond distances ranging from 2.78-2.88 Å. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted pentagonal planar geometry to one Cs(1), one Mo(2), and three equivalent Mo(1) atoms. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to two equivalent Cs(1), one Mo(1), and three equivalent Mo(2) atoms. In the third Te site, Te(3) is bonded in a 4-coordinate geometry to one Cs(1) and three equivalent Mo(1) atoms.