Mo3Ru2 is beta Uranium-derived structured and crystallizes in the orthorhombic Cmm2 space group. There are seven inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 15-coordinate geometry to one Mo(1), one Mo(6), two equivalent Mo(3), two equivalent Mo(5), two equivalent Mo(7), one Ru(5), two equivalent Ru(2), and four equivalent Ru(4) atoms. In the second Mo site, Mo(2) is bonded in a 15-coordinate geometry to one Mo(2), one Mo(5), one Mo(7), two equivalent Mo(4), two equivalent Mo(6), two equivalent Ru(1), two equivalent Ru(5), and four equivalent Ru(3) atoms. In the third Mo site, Mo(3) is bonded in a 14-coordinate geometry to one Mo(1), one Mo(3), one Mo(5), one Mo(6), one Mo(7), four equivalent Mo(4), one Ru(5), two equivalent Ru(3), and two equivalent Ru(4) atoms. In the fourth Mo site, Mo(4) is bonded in a 14-coordinate geometry to one Mo(2), one Mo(4), one Mo(5), one Mo(6), one Mo(7), four equivalent Mo(3), one Ru(5), two equivalent Ru(3), and two equivalent Ru(4) atoms. In the fifth Mo site, Mo(5) is bonded in a 7-coordinate geometry to one Mo(2), two equivalent Mo(1), two equivalent Mo(3), two equivalent Mo(4), two equivalent Mo(7), one Ru(2), two equivalent Ru(3), and two equivalent Ru(4) atoms. In the sixth Mo site, Mo(6) is bonded in a 7-coordinate geometry to one Mo(1), two equivalent Mo(2), two equivalent Mo(3), two equivalent Mo(4), one Ru(1), two equivalent Ru(3), two equivalent Ru(4), and two equivalent Ru(5) atoms. In the seventh Mo site, Mo(7) is bonded in a 14-coordinate geometry to one Mo(2), two equivalent Mo(1), two equivalent Mo(3), two equivalent Mo(4), two equivalent Mo(5), one Ru(2), two equivalent Ru(3), and two equivalent Ru(4) atoms. There are five inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to two equivalent Mo(6), four equivalent Mo(2), two equivalent Ru(5), and four equivalent Ru(3) atoms to form RuMo6Ru6 cuboctahedra that share corners with eight equivalent Ru(3)Mo9Ru3 cuboctahedra, corners with eight equivalent Ru(4)Mo9Ru3 cuboctahedra, edges with two equivalent Ru(1)Mo6Ru6 cuboctahedra, and faces with four equivalent Ru(3)Mo9Ru3 cuboctahedra. In the second Ru site, Ru(2) is bonded to two equivalent Mo(5), two equivalent Mo(7), four equivalent Mo(1), and four equivalent Ru(4) atoms to form RuMo8Ru4 cuboctahedra that share corners with eight equivalent Ru(3)Mo9Ru3 cuboctahedra, corners with eight equivalent Ru(4)Mo9Ru3 cuboctahedra, edges with two equivalent Ru(2)Mo8Ru4 cuboctahedra, and faces with four equivalent Ru(4)Mo9Ru3 cuboctahedra. In the third Ru site, Ru(3) is bonded to one Mo(5), one Mo(6), one Mo(7), two equivalent Mo(2), two equivalent Mo(3), two equivalent Mo(4), one Ru(1), one Ru(3), and one Ru(5) atom to form RuMo9Ru3 cuboctahedra that share corners with two equivalent Ru(1)Mo6Ru6 cuboctahedra, corners with two equivalent Ru(2)Mo8Ru4 cuboctahedra, corners with three equivalent Ru(3)Mo9Ru3 cuboctahedra, corners with four equivalent Ru(4)Mo9Ru3 cuboctahedra, edges with three equivalent Ru(3)Mo9Ru3 cuboctahedra,  a faceface with one Ru(1)Mo6Ru6 cuboctahedra, faces with two equivalent Ru(3)Mo9Ru3 cuboctahedra, and faces with four equivalent Ru(4)Mo9Ru3 cuboctahedra. In the fourth Ru site, Ru(4) is bonded to one Mo(5), one Mo(6), one Mo(7), two equivalent Mo(1), two equivalent Mo(3), two equivalent Mo(4), one Ru(2), one Ru(4), and one Ru(5) atom to form RuMo9Ru3 cuboctahedra that share corners with two equivalent Ru(1)Mo6Ru6 cuboctahedra, corners with two equivalent Ru(2)Mo8Ru4 cuboctahedra, corners with three equivalent Ru(4)Mo9Ru3 cuboctahedra, corners with four equivalent Ru(3)Mo9Ru3 cuboctahedra, edges with three equivalent Ru(4)Mo9Ru3 cuboctahedra,  a faceface with one Ru(2)Mo8Ru4 cuboctahedra, faces with two equivalent Ru(4)Mo9Ru3 cuboctahedra, and faces with four equivalent Ru(3)Mo9Ru3 cuboctahedra. In the fifth Ru site, Ru(5) is bonded in a distorted linear geometry to one Mo(1), two equivalent Mo(2), two equivalent Mo(3), two equivalent Mo(4), two equivalent Mo(6), one Ru(1), two equivalent Ru(3), and two equivalent Ru(4) atoms.
Mo3Ru2 is beta Uranium-derived structured and crystallizes in the orthorhombic Cmm2 space group. There are seven inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 15-coordinate geometry to one Mo(1), one Mo(6), two equivalent Mo(3), two equivalent Mo(5), two equivalent Mo(7), one Ru(5), two equivalent Ru(2), and four equivalent Ru(4) atoms. The Mo(1)-Mo(1) bond length is 2.86 Å. The Mo(1)-Mo(6) bond length is 3.20 Å. Both Mo(1)-Mo(3) bond lengths are 2.63 Å. Both Mo(1)-Mo(5) bond lengths are 3.07 Å. Both Mo(1)-Mo(7) bond lengths are 3.11 Å. The Mo(1)-Ru(5) bond length is 3.16 Å. There is one shorter (2.84 Å) and one longer (2.89 Å) Mo(1)-Ru(2) bond length. There are two shorter (2.92 Å) and two longer (2.96 Å) Mo(1)-Ru(4) bond lengths. In the second Mo site, Mo(2) is bonded in a 15-coordinate geometry to one Mo(2), one Mo(5), one Mo(7), two equivalent Mo(4), two equivalent Mo(6), two equivalent Ru(1), two equivalent Ru(5), and four equivalent Ru(3) atoms. The Mo(2)-Mo(2) bond length is 2.82 Å. The Mo(2)-Mo(5) bond length is 3.20 Å. The Mo(2)-Mo(7) bond length is 3.16 Å. Both Mo(2)-Mo(4) bond lengths are 2.62 Å. Both Mo(2)-Mo(6) bond lengths are 3.08 Å. There is one shorter (2.81 Å) and one longer (2.91 Å) Mo(2)-Ru(1) bond length. Both Mo(2)-Ru(5) bond lengths are 3.11 Å. All Mo(2)-Ru(3) bond lengths are 2.95 Å. In the third Mo site, Mo(3) is bonded in a 14-coordinate geometry to one Mo(1), one Mo(3), one Mo(5), one Mo(6), one Mo(7), four equivalent Mo(4), one Ru(5), two equivalent Ru(3), and two equivalent Ru(4) atoms. The Mo(3)-Mo(3) bond length is 2.59 Å. The Mo(3)-Mo(5) bond length is 3.08 Å. The Mo(3)-Mo(6) bond length is 3.00 Å. The Mo(3)-Mo(7) bond length is 3.08 Å. There are a spread of Mo(3)-Mo(4) bond distances ranging from 3.06-3.13 Å. The Mo(3)-Ru(5) bond length is 2.98 Å. There is one shorter (2.66 Å) and one longer (2.71 Å) Mo(3)-Ru(3) bond length. There is one shorter (2.69 Å) and one longer (2.71 Å) Mo(3)-Ru(4) bond length. In the fourth Mo site, Mo(4) is bonded in a 14-coordinate geometry to one Mo(2), one Mo(4), one Mo(5), one Mo(6), one Mo(7), four equivalent Mo(3), one Ru(5), two equivalent Ru(3), and two equivalent Ru(4) atoms. The Mo(4)-Mo(4) bond length is 2.64 Å. The Mo(4)-Mo(5) bond length is 3.06 Å. The Mo(4)-Mo(6) bond length is 3.01 Å. The Mo(4)-Mo(7) bond length is 3.02 Å. The Mo(4)-Ru(5) bond length is 3.01 Å. There is one shorter (2.67 Å) and one longer (2.71 Å) Mo(4)-Ru(3) bond length. There is one shorter (2.67 Å) and one longer (2.72 Å) Mo(4)-Ru(4) bond length. In the fifth Mo site, Mo(5) is bonded in a 7-coordinate geometry to one Mo(2), two equivalent Mo(1), two equivalent Mo(3), two equivalent Mo(4), two equivalent Mo(7), one Ru(2), two equivalent Ru(3), and two equivalent Ru(4) atoms. Both Mo(5)-Mo(7) bond lengths are 2.48 Å. The Mo(5)-Ru(2) bond length is 2.73 Å. Both Mo(5)-Ru(3) bond lengths are 2.79 Å. Both Mo(5)-Ru(4) bond lengths are 2.82 Å. In the sixth Mo site, Mo(6) is bonded in a 7-coordinate geometry to one Mo(1), two equivalent Mo(2), two equivalent Mo(3), two equivalent Mo(4), one Ru(1), two equivalent Ru(3), two equivalent Ru(4), and two equivalent Ru(5) atoms. The Mo(6)-Ru(1) bond length is 2.72 Å. Both Mo(6)-Ru(3) bond lengths are 2.80 Å. Both Mo(6)-Ru(4) bond lengths are 2.78 Å. There is one shorter (2.47 Å) and one longer (2.50 Å) Mo(6)-Ru(5) bond length. In the seventh Mo site, Mo(7) is bonded in a 14-coordinate geometry to one Mo(2), two equivalent Mo(1), two equivalent Mo(3), two equivalent Mo(4), two equivalent Mo(5), one Ru(2), two equivalent Ru(3), and two equivalent Ru(4) atoms. The Mo(7)-Ru(2) bond length is 2.75 Å. Both Mo(7)-Ru(3) bond lengths are 2.75 Å. Both Mo(7)-Ru(4) bond lengths are 2.83 Å. There are five inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to two equivalent Mo(6), four equivalent Mo(2), two equivalent Ru(5), and four equivalent Ru(3) atoms to form RuMo6Ru6 cuboctahedra that share corners with eight equivalent Ru(3)Mo9Ru3 cuboctahedra, corners with eight equivalent Ru(4)Mo9Ru3 cuboctahedra, edges with two equivalent Ru(1)Mo6Ru6 cuboctahedra, and faces with four equivalent Ru(3)Mo9Ru3 cuboctahedra. Both Ru(1)-Ru(5) bond lengths are 2.78 Å. All Ru(1)-Ru(3) bond lengths are 2.63 Å. In the second Ru site, Ru(2) is bonded to two equivalent Mo(5), two equivalent Mo(7), four equivalent Mo(1), and four equivalent Ru(4) atoms to form RuMo8Ru4 cuboctahedra that share corners with eight equivalent Ru(3)Mo9Ru3 cuboctahedra, corners with eight equivalent Ru(4)Mo9Ru3 cuboctahedra, edges with two equivalent Ru(2)Mo8Ru4 cuboctahedra, and faces with four equivalent Ru(4)Mo9Ru3 cuboctahedra. All Ru(2)-Ru(4) bond lengths are 2.63 Å. In the third Ru site, Ru(3) is bonded to one Mo(5), one Mo(6), one Mo(7), two equivalent Mo(2), two equivalent Mo(3), two equivalent Mo(4), one Ru(1), one Ru(3), and one Ru(5) atom to form RuMo9Ru3 cuboctahedra that share corners with two equivalent Ru(1)Mo6Ru6 cuboctahedra, corners with two equivalent Ru(2)Mo8Ru4 cuboctahedra, corners with three equivalent Ru(3)Mo9Ru3 cuboctahedra, corners with four equivalent Ru(4)Mo9Ru3 cuboctahedra, edges with three equivalent Ru(3)Mo9Ru3 cuboctahedra,  a faceface with one Ru(1)Mo6Ru6 cuboctahedra, faces with two equivalent Ru(3)Mo9Ru3 cuboctahedra, and faces with four equivalent Ru(4)Mo9Ru3 cuboctahedra. The Ru(3)-Ru(3) bond length is 2.70 Å. The Ru(3)-Ru(5) bond length is 2.80 Å. In the fourth Ru site, Ru(4) is bonded to one Mo(5), one Mo(6), one Mo(7), two equivalent Mo(1), two equivalent Mo(3), two equivalent Mo(4), one Ru(2), one Ru(4), and one Ru(5) atom to form RuMo9Ru3 cuboctahedra that share corners with two equivalent Ru(1)Mo6Ru6 cuboctahedra, corners with two equivalent Ru(2)Mo8Ru4 cuboctahedra, corners with three equivalent Ru(4)Mo9Ru3 cuboctahedra, corners with four equivalent Ru(3)Mo9Ru3 cuboctahedra, edges with three equivalent Ru(4)Mo9Ru3 cuboctahedra,  a faceface with one Ru(2)Mo8Ru4 cuboctahedra, faces with two equivalent Ru(4)Mo9Ru3 cuboctahedra, and faces with four equivalent Ru(3)Mo9Ru3 cuboctahedra. The Ru(4)-Ru(4) bond length is 2.65 Å. The Ru(4)-Ru(5) bond length is 2.75 Å. In the fifth Ru site, Ru(5) is bonded in a distorted linear geometry to one Mo(1), two equivalent Mo(2), two equivalent Mo(3), two equivalent Mo(4), two equivalent Mo(6), one Ru(1), two equivalent Ru(3), and two equivalent Ru(4) atoms.