Mo8AgGa40 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 Ag(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. Ag(1) is bonded in a 8-coordinate 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), one Ga(7), 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), one Ga(8), and two equivalent Ga(7) atoms. In the eighth Ga site, Ga(7) is bonded in a 8-coordinate geometry to one Mo(1), one Mo(2), one Ag(1), one Ga(5), two equivalent Ga(6), and two equivalent Ga(8) atoms.
Mo8AgGa40 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 Ag(1), three equivalent Ga(4), three equivalent Ga(6), and three equivalent Ga(7) atoms. The Mo(1)-Ag(1) bond length is 3.05 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 2.55 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 2.66 Å. There is one shorter (2.67 Å) and one longer (2.68 Å) Mo(2)-Ga(3) bond length. Both Mo(2)-Ga(5) bond lengths are 2.60 Å. There is one shorter (2.64 Å) and one longer (2.67 Å) Mo(2)-Ga(8) bond length. Ag(1) is bonded in a 8-coordinate geometry to two equivalent Mo(1) and six equivalent Ga(7) atoms. All Ag(1)-Ga(7) bond lengths are 2.80 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 2.94 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 (2.86 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), one Ga(7), and two equivalent Ga(8) atoms. The Ga(5)-Ga(7) bond length is 2.88 Å. In the seventh Ga site, Ga(6) is bonded in a 2-coordinate geometry to one Mo(1), one Mo(2), one Ga(8), and two equivalent Ga(7) atoms. There is one shorter (2.77 Å) and one longer (3.05 Å) Ga(6)-Ga(7) bond length. In the eighth Ga site, Ga(7) is bonded in a 8-coordinate geometry to one Mo(1), one Mo(2), one Ag(1), one Ga(5), two equivalent Ga(6), and two equivalent Ga(8) atoms.