Mo3Os2 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 Os(5), two equivalent Os(2), and four equivalent Os(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 Os(1), two equivalent Os(5), and four equivalent Os(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 Os(5), two equivalent Os(3), and two equivalent Os(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 Os(5), two equivalent Os(3), and two equivalent Os(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 Os(2), two equivalent Os(3), and two equivalent Os(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 Os(1), two equivalent Os(3), two equivalent Os(4), and two equivalent Os(5) atoms. In the seventh Mo site, Mo(7) 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(5), one Os(2), two equivalent Os(3), and two equivalent Os(4) atoms. There are five inequivalent Os sites. In the first Os site, Os(1) is bonded to two equivalent Mo(6), four equivalent Mo(2), two equivalent Os(5), and four equivalent Os(3) atoms to form OsMo6Os6 cuboctahedra that share corners with eight equivalent Os(3)Mo9Os3 cuboctahedra, corners with eight equivalent Os(4)Mo9Os3 cuboctahedra, edges with two equivalent Os(1)Mo6Os6 cuboctahedra, and faces with four equivalent Os(3)Mo9Os3 cuboctahedra. In the second Os site, Os(2) is bonded to two equivalent Mo(5), two equivalent Mo(7), four equivalent Mo(1), and four equivalent Os(4) atoms to form OsMo8Os4 cuboctahedra that share corners with eight equivalent Os(3)Mo9Os3 cuboctahedra, corners with eight equivalent Os(4)Mo9Os3 cuboctahedra, edges with two equivalent Os(2)Mo8Os4 cuboctahedra, and faces with four equivalent Os(4)Mo9Os3 cuboctahedra. In the third Os site, Os(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 Os(1), one Os(3), and one Os(5) atom to form OsMo9Os3 cuboctahedra that share corners with two equivalent Os(1)Mo6Os6 cuboctahedra, corners with two equivalent Os(2)Mo8Os4 cuboctahedra, corners with three equivalent Os(3)Mo9Os3 cuboctahedra, corners with four equivalent Os(4)Mo9Os3 cuboctahedra, edges with three equivalent Os(3)Mo9Os3 cuboctahedra,  a faceface with one Os(1)Mo6Os6 cuboctahedra, faces with two equivalent Os(3)Mo9Os3 cuboctahedra, and faces with four equivalent Os(4)Mo9Os3 cuboctahedra. In the fourth Os site, Os(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 Os(2), one Os(4), and one Os(5) atom to form OsMo9Os3 cuboctahedra that share corners with two equivalent Os(1)Mo6Os6 cuboctahedra, corners with two equivalent Os(2)Mo8Os4 cuboctahedra, corners with three equivalent Os(4)Mo9Os3 cuboctahedra, corners with four equivalent Os(3)Mo9Os3 cuboctahedra, edges with three equivalent Os(4)Mo9Os3 cuboctahedra,  a faceface with one Os(2)Mo8Os4 cuboctahedra, faces with two equivalent Os(4)Mo9Os3 cuboctahedra, and faces with four equivalent Os(3)Mo9Os3 cuboctahedra. In the fifth Os site, Os(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 Os(1), two equivalent Os(3), and two equivalent Os(4) atoms.
Mo3Os2 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 Os(5), two equivalent Os(2), and four equivalent Os(4) atoms. The Mo(1)-Mo(1) bond length is 2.84 Å. The Mo(1)-Mo(6) bond length is 3.20 Å. Both Mo(1)-Mo(3) bond lengths are 2.64 Å. Both Mo(1)-Mo(5) bond lengths are 3.11 Å. Both Mo(1)-Mo(7) bond lengths are 3.12 Å. The Mo(1)-Os(5) bond length is 3.20 Å. There is one shorter (2.86 Å) and one longer (2.88 Å) Mo(1)-Os(2) bond length. There are two shorter (2.94 Å) and two longer (2.96 Å) Mo(1)-Os(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 Os(1), two equivalent Os(5), and four equivalent Os(3) atoms. The Mo(2)-Mo(2) bond length is 2.82 Å. The Mo(2)-Mo(5) bond length is 3.21 Å. The Mo(2)-Mo(7) bond length is 3.19 Å. Both Mo(2)-Mo(4) bond lengths are 2.65 Å. Both Mo(2)-Mo(6) bond lengths are 3.11 Å. Both Mo(2)-Os(1) bond lengths are 2.86 Å. Both Mo(2)-Os(5) bond lengths are 3.11 Å. All Mo(2)-Os(3) bond lengths are 2.96 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 Os(5), two equivalent Os(3), and two equivalent Os(4) atoms. The Mo(3)-Mo(3) bond length is 2.63 Å. The Mo(3)-Mo(5) bond length is 3.06 Å. The Mo(3)-Mo(6) bond length is 3.03 Å. The Mo(3)-Mo(7) bond length is 3.06 Å. There are a spread of Mo(3)-Mo(4) bond distances ranging from 3.09-3.13 Å. The Mo(3)-Os(5) bond length is 3.02 Å. There is one shorter (2.70 Å) and one longer (2.72 Å) Mo(3)-Os(3) bond length. There is one shorter (2.70 Å) and one longer (2.71 Å) Mo(3)-Os(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 Os(5), two equivalent Os(3), and two equivalent Os(4) atoms. The Mo(4)-Mo(4) bond length is 2.65 Å. The Mo(4)-Mo(5) bond length is 3.06 Å. The Mo(4)-Mo(6) bond length is 3.03 Å. The Mo(4)-Mo(7) bond length is 3.04 Å. The Mo(4)-Os(5) bond length is 3.03 Å. There is one shorter (2.69 Å) and one longer (2.71 Å) Mo(4)-Os(3) bond length. There is one shorter (2.70 Å) and one longer (2.75 Å) Mo(4)-Os(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 Os(2), two equivalent Os(3), and two equivalent Os(4) atoms. There is one shorter (2.48 Å) and one longer (2.50 Å) Mo(5)-Mo(7) bond length. The Mo(5)-Os(2) bond length is 2.78 Å. Both Mo(5)-Os(3) bond lengths are 2.80 Å. Both Mo(5)-Os(4) bond lengths are 2.84 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 Os(1), two equivalent Os(3), two equivalent Os(4), and two equivalent Os(5) atoms. The Mo(6)-Os(1) bond length is 2.78 Å. Both Mo(6)-Os(3) bond lengths are 2.82 Å. Both Mo(6)-Os(4) bond lengths are 2.78 Å. Both Mo(6)-Os(5) bond lengths are 2.49 Å. In the seventh Mo site, Mo(7) 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(5), one Os(2), two equivalent Os(3), and two equivalent Os(4) atoms. The Mo(7)-Os(2) bond length is 2.78 Å. Both Mo(7)-Os(3) bond lengths are 2.78 Å. Both Mo(7)-Os(4) bond lengths are 2.83 Å. There are five inequivalent Os sites. In the first Os site, Os(1) is bonded to two equivalent Mo(6), four equivalent Mo(2), two equivalent Os(5), and four equivalent Os(3) atoms to form OsMo6Os6 cuboctahedra that share corners with eight equivalent Os(3)Mo9Os3 cuboctahedra, corners with eight equivalent Os(4)Mo9Os3 cuboctahedra, edges with two equivalent Os(1)Mo6Os6 cuboctahedra, and faces with four equivalent Os(3)Mo9Os3 cuboctahedra. Both Os(1)-Os(5) bond lengths are 2.77 Å. All Os(1)-Os(3) bond lengths are 2.63 Å. In the second Os site, Os(2) is bonded to two equivalent Mo(5), two equivalent Mo(7), four equivalent Mo(1), and four equivalent Os(4) atoms to form OsMo8Os4 cuboctahedra that share corners with eight equivalent Os(3)Mo9Os3 cuboctahedra, corners with eight equivalent Os(4)Mo9Os3 cuboctahedra, edges with two equivalent Os(2)Mo8Os4 cuboctahedra, and faces with four equivalent Os(4)Mo9Os3 cuboctahedra. All Os(2)-Os(4) bond lengths are 2.64 Å. In the third Os site, Os(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 Os(1), one Os(3), and one Os(5) atom to form OsMo9Os3 cuboctahedra that share corners with two equivalent Os(1)Mo6Os6 cuboctahedra, corners with two equivalent Os(2)Mo8Os4 cuboctahedra, corners with three equivalent Os(3)Mo9Os3 cuboctahedra, corners with four equivalent Os(4)Mo9Os3 cuboctahedra, edges with three equivalent Os(3)Mo9Os3 cuboctahedra,  a faceface with one Os(1)Mo6Os6 cuboctahedra, faces with two equivalent Os(3)Mo9Os3 cuboctahedra, and faces with four equivalent Os(4)Mo9Os3 cuboctahedra. The Os(3)-Os(3) bond length is 2.71 Å. The Os(3)-Os(5) bond length is 2.81 Å. In the fourth Os site, Os(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 Os(2), one Os(4), and one Os(5) atom to form OsMo9Os3 cuboctahedra that share corners with two equivalent Os(1)Mo6Os6 cuboctahedra, corners with two equivalent Os(2)Mo8Os4 cuboctahedra, corners with three equivalent Os(4)Mo9Os3 cuboctahedra, corners with four equivalent Os(3)Mo9Os3 cuboctahedra, edges with three equivalent Os(4)Mo9Os3 cuboctahedra,  a faceface with one Os(2)Mo8Os4 cuboctahedra, faces with two equivalent Os(4)Mo9Os3 cuboctahedra, and faces with four equivalent Os(3)Mo9Os3 cuboctahedra. The Os(4)-Os(4) bond length is 2.67 Å. The Os(4)-Os(5) bond length is 2.77 Å. In the fifth Os site, Os(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 Os(1), two equivalent Os(3), and two equivalent Os(4) atoms.