Mo8Ga40Ge 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 9-coordinate geometry to 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. 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 Ga(5), two equivalent Ga(6), two equivalent Ga(8), and one Ge(1) atom. Ge(1) is bonded in an octahedral geometry to six equivalent Ga(7) atoms.
Mo8Ga40Ge 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 9-coordinate geometry to three equivalent Ga(4), three equivalent Ga(6), and three equivalent Ga(7) atoms. All Mo(1)-Ga(4) bond lengths are 2.61 Å. All Mo(1)-Ga(6) bond lengths are 2.59 Å. All Mo(1)-Ga(7) bond lengths are 2.67 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 2.58 Å. The Mo(2)-Ga(4) bond length is 2.69 Å. The Mo(2)-Ga(6) bond length is 2.62 Å. The Mo(2)-Ga(7) bond length is 2.69 Å. There is one shorter (2.70 Å) and one longer (2.71 Å) Mo(2)-Ga(3) bond length. There is one shorter (2.61 Å) and one longer (2.65 Å) Mo(2)-Ga(5) bond length. Both Mo(2)-Ga(8) bond lengths are 2.64 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 2.89 Å. All Ga(1)-Ga(4) bond lengths are 3.04 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 2.99 Å. The Ga(8)-Ga(4) bond length is 2.96 Å. The Ga(8)-Ga(6) bond length is 2.85 Å. There is one shorter (2.81 Å) and one longer (2.88 Å) Ga(8)-Ga(5) bond length. There is one shorter (2.74 Å) and one longer (2.87 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 2.96 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 (2.78 Å) and one longer (3.03 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 Ga(5), two equivalent Ga(6), two equivalent Ga(8), and one Ge(1) atom. The Ga(7)-Ge(1) bond length is 2.75 Å. Ge(1) is bonded in an octahedral geometry to six equivalent Ga(7) atoms.