Mo8AuGa40 crystallizes in the trigonal R-3 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 10-coordinate geometry to one Au(1), three equivalent Ga(4), three equivalent Ga(6), and three equivalent Ga(7) atoms. In the second Mo site, Mo(2) is bonded in a distorted q6 geometry to one Ga(2), one Ga(4), one Ga(6), one Ga(7), two equivalent Ga(3), two equivalent Ga(5), and two equivalent Ga(8) atoms. Au(1) is bonded in a distorted octahedral geometry to two equivalent Mo(1) and six equivalent Ga(7) atoms. There are eight inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a cuboctahedral geometry to six equivalent Ga(3) and six equivalent Ga(4) atoms. In the second Ga site, Ga(2) is bonded in a distorted linear geometry to two equivalent Mo(2) atoms. In the third Ga site, Ga(8) is bonded in a 9-coordinate geometry to two equivalent Mo(2), one Ga(3), one Ga(4), one Ga(6), two equivalent Ga(5), and two equivalent Ga(7) atoms. In the fourth Ga site, Ga(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Mo(2), one Ga(1), and one Ga(8) atom. In the fifth Ga site, Ga(4) is bonded in a distorted bent 150 degrees geometry to one Mo(1), one Mo(2), one Ga(1), and one Ga(8) atom. In the sixth Ga site, Ga(5) is bonded in a 2-coordinate geometry to two equivalent Mo(2) and two equivalent Ga(8) atoms. In the seventh Ga site, Ga(6) is bonded in a 2-coordinate geometry to one Mo(1), one Mo(2), and one Ga(8) atom. In the eighth Ga site, Ga(7) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), one Au(1), and two equivalent Ga(8) atoms.
Mo8AuGa40 crystallizes in the trigonal R-3 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 10-coordinate geometry to one Au(1), three equivalent Ga(4), three equivalent Ga(6), and three equivalent Ga(7) atoms. The Mo(1)-Au(1) bond length is 3.04 Å. All Mo(1)-Ga(4) bond lengths are 2.68 Å. All Mo(1)-Ga(6) bond lengths are 2.61 Å. All Mo(1)-Ga(7) bond lengths are 2.62 Å. In the second Mo site, Mo(2) is bonded in a distorted q6 geometry to one Ga(2), one Ga(4), one Ga(6), one Ga(7), two equivalent Ga(3), two equivalent Ga(5), and two equivalent Ga(8) atoms. The Mo(2)-Ga(2) bond length is 2.56 Å. The Mo(2)-Ga(4) bond length is 2.71 Å. The Mo(2)-Ga(6) bond length is 2.64 Å. The Mo(2)-Ga(7) bond length is 2.67 Å. There is one shorter (2.67 Å) and one longer (2.69 Å) Mo(2)-Ga(3) bond length. Both Mo(2)-Ga(5) bond lengths are 2.59 Å. There is one shorter (2.64 Å) and one longer (2.66 Å) Mo(2)-Ga(8) bond length. Au(1) is bonded in a distorted octahedral geometry to two equivalent Mo(1) and six equivalent Ga(7) atoms. All Au(1)-Ga(7) bond lengths are 2.78 Å. There are eight inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a cuboctahedral geometry to six equivalent Ga(3) and six equivalent Ga(4) atoms. All Ga(1)-Ga(3) bond lengths are 2.92 Å. All Ga(1)-Ga(4) bond lengths are 3.02 Å. In the second Ga site, Ga(2) is bonded in a distorted linear geometry to two equivalent Mo(2) atoms. In the third Ga site, Ga(8) is bonded in a 9-coordinate geometry to two equivalent Mo(2), one Ga(3), one Ga(4), one Ga(6), two equivalent Ga(5), and two equivalent Ga(7) atoms. The Ga(8)-Ga(3) bond length is 2.93 Å. The Ga(8)-Ga(4) bond length is 2.98 Å. The Ga(8)-Ga(6) bond length is 2.81 Å. There is one shorter (2.81 Å) and one longer (2.87 Å) Ga(8)-Ga(5) bond length. There is one shorter (2.72 Å) and one longer (2.85 Å) Ga(8)-Ga(7) bond length. In the fourth Ga site, Ga(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Mo(2), one Ga(1), and one Ga(8) atom. In the fifth Ga site, Ga(4) is bonded in a distorted bent 150 degrees geometry to one Mo(1), one Mo(2), one Ga(1), and one Ga(8) atom. In the sixth Ga site, Ga(5) is bonded in a 2-coordinate geometry to two equivalent Mo(2) and two equivalent Ga(8) atoms. In the seventh Ga site, Ga(6) is bonded in a 2-coordinate geometry to one Mo(1), one Mo(2), and one Ga(8) atom. In the eighth Ga site, Ga(7) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), one Au(1), and two equivalent Ga(8) atoms.