Ga(MoSe2)4 crystallizes in the trigonal R3m space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one Se(3), one Se(4), two equivalent Se(1), and two equivalent Se(2) atoms. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to three equivalent Se(1) and three equivalent Se(2) atoms. Ga(1) is bonded in a tetrahedral geometry to one Se(4) and three equivalent Se(1) atoms. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded to one Mo(2), two equivalent Mo(1), and one Ga(1) atom to form a mixture of distorted corner and edge-sharing SeGaMo3 tetrahedra. In the second Se site, Se(2) is bonded in a 3-coordinate geometry to one Mo(2) and two equivalent Mo(1) atoms. In the third Se site, Se(3) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. In the fourth Se site, Se(4) is bonded to three equivalent Mo(1) and one Ga(1) atom to form a mixture of corner and edge-sharing SeGaMo3 tetrahedra.
Ga(MoSe2)4 crystallizes in the trigonal R3m space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one Se(3), one Se(4), two equivalent Se(1), and two equivalent Se(2) atoms. The Mo(1)-Se(3) bond length is 2.47 Å. The Mo(1)-Se(4) bond length is 2.74 Å. Both Mo(1)-Se(1) bond lengths are 2.76 Å. Both Mo(1)-Se(2) bond lengths are 2.48 Å. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to three equivalent Se(1) and three equivalent Se(2) atoms. All Mo(2)-Se(1) bond lengths are 2.79 Å. All Mo(2)-Se(2) bond lengths are 2.49 Å. Ga(1) is bonded in a tetrahedral geometry to one Se(4) and three equivalent Se(1) atoms. The Ga(1)-Se(4) bond length is 2.45 Å. All Ga(1)-Se(1) bond lengths are 2.45 Å. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded to one Mo(2), two equivalent Mo(1), and one Ga(1) atom to form a mixture of distorted corner and edge-sharing SeGaMo3 tetrahedra. In the second Se site, Se(2) is bonded in a 3-coordinate geometry to one Mo(2) and two equivalent Mo(1) atoms. In the third Se site, Se(3) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. In the fourth Se site, Se(4) is bonded to three equivalent Mo(1) and one Ga(1) atom to form a mixture of corner and edge-sharing SeGaMo3 tetrahedra.