MoIr4 is alpha La-derived structured and crystallizes in the trigonal R-3m space group. Mo(1) is bonded to six equivalent Mo(1) and six equivalent Ir(1) atoms to form MoMo6Ir6 cuboctahedra that share corners with six equivalent Mo(1)Mo6Ir6 cuboctahedra; corners with six Ir(2,2)Ir12 cuboctahedra; edges with six equivalent Mo(1)Mo6Ir6 cuboctahedra; edges with six Ir(2,2)Ir12 cuboctahedra; edges with twelve equivalent Ir(1)Mo3Ir9 cuboctahedra; faces with six equivalent Mo(1)Mo6Ir6 cuboctahedra; and faces with twelve equivalent Ir(1)Mo3Ir9 cuboctahedra. There are four inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to three equivalent Mo(1), three equivalent Ir(2), and six equivalent Ir(1) atoms to form IrMo3Ir9 cuboctahedra that share corners with three equivalent Ir(2)Ir12 cuboctahedra; corners with nine equivalent Ir(1)Mo3Ir9 cuboctahedra; edges with six equivalent Mo(1)Mo6Ir6 cuboctahedra; edges with nine Ir(2,2)Ir12 cuboctahedra; edges with nine equivalent Ir(1)Mo3Ir9 cuboctahedra; faces with six equivalent Mo(1)Mo6Ir6 cuboctahedra; faces with six equivalent Ir(2)Ir12 cuboctahedra; and faces with six equivalent Ir(1)Mo3Ir9 cuboctahedra. In the second Ir site, Ir(2) is bonded to three equivalent Ir(1) and nine Ir(2,2) atoms to form IrIr12 cuboctahedra that share corners with three equivalent Mo(1)Mo6Ir6 cuboctahedra; corners with three equivalent Ir(1)Mo3Ir9 cuboctahedra; corners with six equivalent Ir(2)Ir12 cuboctahedra; edges with three equivalent Mo(1)Mo6Ir6 cuboctahedra; edges with nine equivalent Ir(1)Mo3Ir9 cuboctahedra; edges with twelve Ir(2,2)Ir12 cuboctahedra; faces with six equivalent Ir(1)Mo3Ir9 cuboctahedra; and faces with twelve Ir(2,2)Ir12 cuboctahedra. In the third Ir site, Ir(2) is bonded to three equivalent Ir(1) and nine Ir(2,2) atoms to form IrIr12 cuboctahedra that share corners with three equivalent Mo(1)Mo6Ir6 cuboctahedra; corners with three equivalent Ir(1)Mo3Ir9 cuboctahedra; corners with six equivalent Ir(2)Ir12 cuboctahedra; edges with three equivalent Mo(1)Mo6Ir6 cuboctahedra; edges with nine equivalent Ir(1)Mo3Ir9 cuboctahedra; edges with twelve Ir(2,2)Ir12 cuboctahedra; faces with six equivalent Ir(1)Mo3Ir9 cuboctahedra; and faces with twelve Ir(2,2)Ir12 cuboctahedra. In the fourth Ir site, Ir(2) is bonded to three equivalent Ir(1) and nine Ir(2,2) atoms to form IrIr12 cuboctahedra that share corners with three equivalent Mo(1)Mo6Ir6 cuboctahedra; corners with three equivalent Ir(1)Mo3Ir9 cuboctahedra; corners with six equivalent Ir(2)Ir12 cuboctahedra; edges with three equivalent Mo(1)Mo6Ir6 cuboctahedra; edges with nine equivalent Ir(1)Mo3Ir9 cuboctahedra; edges with twelve Ir(2,2)Ir12 cuboctahedra; faces with six equivalent Ir(1)Mo3Ir9 cuboctahedra; and faces with twelve Ir(2,2)Ir12 cuboctahedra.
MoIr4 is alpha La-derived structured and crystallizes in the trigonal R-3m space group. Mo(1) is bonded to six equivalent Mo(1) and six equivalent Ir(1) atoms to form MoMo6Ir6 cuboctahedra that share corners with six equivalent Mo(1)Mo6Ir6 cuboctahedra; corners with six Ir(2,2)Ir12 cuboctahedra; edges with six equivalent Mo(1)Mo6Ir6 cuboctahedra; edges with six Ir(2,2)Ir12 cuboctahedra; edges with twelve equivalent Ir(1)Mo3Ir9 cuboctahedra; faces with six equivalent Mo(1)Mo6Ir6 cuboctahedra; and faces with twelve equivalent Ir(1)Mo3Ir9 cuboctahedra. All Mo(1)-Mo(1) bond lengths are 2.75 Å. All Mo(1)-Ir(1) bond lengths are 2.75 Å. There are four inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to three equivalent Mo(1), three equivalent Ir(2), and six equivalent Ir(1) atoms to form IrMo3Ir9 cuboctahedra that share corners with three equivalent Ir(2)Ir12 cuboctahedra; corners with nine equivalent Ir(1)Mo3Ir9 cuboctahedra; edges with six equivalent Mo(1)Mo6Ir6 cuboctahedra; edges with nine Ir(2,2)Ir12 cuboctahedra; edges with nine equivalent Ir(1)Mo3Ir9 cuboctahedra; faces with six equivalent Mo(1)Mo6Ir6 cuboctahedra; faces with six equivalent Ir(2)Ir12 cuboctahedra; and faces with six equivalent Ir(1)Mo3Ir9 cuboctahedra. All Ir(1)-Ir(2) bond lengths are 2.79 Å. All Ir(1)-Ir(1) bond lengths are 2.75 Å. In the second Ir site, Ir(2) is bonded to three equivalent Ir(1) and nine Ir(2,2) atoms to form IrIr12 cuboctahedra that share corners with three equivalent Mo(1)Mo6Ir6 cuboctahedra; corners with three equivalent Ir(1)Mo3Ir9 cuboctahedra; corners with six equivalent Ir(2)Ir12 cuboctahedra; edges with three equivalent Mo(1)Mo6Ir6 cuboctahedra; edges with nine equivalent Ir(1)Mo3Ir9 cuboctahedra; edges with twelve Ir(2,2)Ir12 cuboctahedra; faces with six equivalent Ir(1)Mo3Ir9 cuboctahedra; and faces with twelve Ir(2,2)Ir12 cuboctahedra. There are three shorter (2.72 Å) and six longer (2.75 Å) Ir(2)-Ir(2,2) bond lengths. In the third Ir site, Ir(2) is bonded to three equivalent Ir(1) and nine Ir(2,2) atoms to form IrIr12 cuboctahedra that share corners with three equivalent Mo(1)Mo6Ir6 cuboctahedra; corners with three equivalent Ir(1)Mo3Ir9 cuboctahedra; corners with six equivalent Ir(2)Ir12 cuboctahedra; edges with three equivalent Mo(1)Mo6Ir6 cuboctahedra; edges with nine equivalent Ir(1)Mo3Ir9 cuboctahedra; edges with twelve Ir(2,2)Ir12 cuboctahedra; faces with six equivalent Ir(1)Mo3Ir9 cuboctahedra; and faces with twelve Ir(2,2)Ir12 cuboctahedra. All Ir(2)-Ir(1) bond lengths are 2.79 Å. All Ir(2)-Ir(2) bond lengths are 2.75 Å. In the fourth Ir site, Ir(2) is bonded to three equivalent Ir(1) and nine Ir(2,2) atoms to form IrIr12 cuboctahedra that share corners with three equivalent Mo(1)Mo6Ir6 cuboctahedra; corners with three equivalent Ir(1)Mo3Ir9 cuboctahedra; corners with six equivalent Ir(2)Ir12 cuboctahedra; edges with three equivalent Mo(1)Mo6Ir6 cuboctahedra; edges with nine equivalent Ir(1)Mo3Ir9 cuboctahedra; edges with twelve Ir(2,2)Ir12 cuboctahedra; faces with six equivalent Ir(1)Mo3Ir9 cuboctahedra; and faces with twelve Ir(2,2)Ir12 cuboctahedra. All Ir(2)-Ir(1) bond lengths are 2.79 Å. There are three shorter (2.72 Å) and six longer (2.75 Å) Ir(2)-Ir(2,2) bond lengths.