Mn4Ga crystallizes in the trigonal R-3m space group. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent Mn(2), six equivalent Mn(1), and three equivalent Ga(1) atoms to form MnMn9Ga3 cuboctahedra that share corners with three equivalent Mn(2)Mn12 cuboctahedra, corners with nine equivalent Mn(1)Mn9Ga3 cuboctahedra, edges with six equivalent Ga(1)Mn6Ga6 cuboctahedra, edges with nine equivalent Mn(2)Mn12 cuboctahedra, edges with nine equivalent Mn(1)Mn9Ga3 cuboctahedra, faces with six equivalent Mn(2)Mn12 cuboctahedra, faces with six equivalent Mn(1)Mn9Ga3 cuboctahedra, and faces with six equivalent Ga(1)Mn6Ga6 cuboctahedra. In the second Mn site, Mn(2) is bonded to three equivalent Mn(1) and nine equivalent Mn(2) atoms to form MnMn12 cuboctahedra that share corners with three equivalent Mn(1)Mn9Ga3 cuboctahedra, corners with three equivalent Ga(1)Mn6Ga6 cuboctahedra, corners with six equivalent Mn(2)Mn12 cuboctahedra, edges with three equivalent Ga(1)Mn6Ga6 cuboctahedra, edges with nine equivalent Mn(1)Mn9Ga3 cuboctahedra, edges with twelve equivalent Mn(2)Mn12 cuboctahedra, faces with six equivalent Mn(1)Mn9Ga3 cuboctahedra, and faces with twelve equivalent Mn(2)Mn12 cuboctahedra. In the third Mn site, Mn(2) is bonded to three equivalent Mn(1) and nine equivalent Mn(2) atoms to form MnMn12 cuboctahedra that share corners with three equivalent Mn(1)Mn9Ga3 cuboctahedra, corners with three equivalent Ga(1)Mn6Ga6 cuboctahedra, corners with six equivalent Mn(2)Mn12 cuboctahedra, edges with three equivalent Ga(1)Mn6Ga6 cuboctahedra, edges with nine equivalent Mn(1)Mn9Ga3 cuboctahedra, edges with twelve equivalent Mn(2)Mn12 cuboctahedra, faces with six equivalent Mn(1)Mn9Ga3 cuboctahedra, and faces with twelve equivalent Mn(2)Mn12 cuboctahedra. In the fourth Mn site, Mn(2) is bonded to three equivalent Mn(1) and nine Mn(2,2) atoms to form MnMn12 cuboctahedra that share corners with three equivalent Mn(1)Mn9Ga3 cuboctahedra; corners with three equivalent Ga(1)Mn6Ga6 cuboctahedra; corners with six equivalent Mn(2)Mn12 cuboctahedra; edges with three equivalent Ga(1)Mn6Ga6 cuboctahedra; edges with nine equivalent Mn(1)Mn9Ga3 cuboctahedra; edges with twelve Mn(2,2)Mn12 cuboctahedra; faces with six equivalent Mn(1)Mn9Ga3 cuboctahedra; and faces with twelve Mn(2,2)Mn12 cuboctahedra. In the fifth Mn site, Mn(2) is bonded to three equivalent Mn(1) and nine Mn(2,2) atoms to form MnMn12 cuboctahedra that share corners with three equivalent Mn(1)Mn9Ga3 cuboctahedra; corners with three equivalent Ga(1)Mn6Ga6 cuboctahedra; corners with six equivalent Mn(2)Mn12 cuboctahedra; edges with three equivalent Ga(1)Mn6Ga6 cuboctahedra; edges with nine equivalent Mn(1)Mn9Ga3 cuboctahedra; edges with twelve Mn(2,2)Mn12 cuboctahedra; faces with six equivalent Mn(1)Mn9Ga3 cuboctahedra; and faces with twelve Mn(2,2)Mn12 cuboctahedra. Ga(1) is bonded to six equivalent Mn(1) and six equivalent Ga(1) atoms to form GaMn6Ga6 cuboctahedra that share corners with six Mn(2,2)Mn12 cuboctahedra; corners with six equivalent Ga(1)Mn6Ga6 cuboctahedra; edges with six Mn(2,2)Mn12 cuboctahedra; edges with six equivalent Ga(1)Mn6Ga6 cuboctahedra; edges with twelve equivalent Mn(1)Mn9Ga3 cuboctahedra; faces with six equivalent Ga(1)Mn6Ga6 cuboctahedra; and faces with twelve equivalent Mn(1)Mn9Ga3 cuboctahedra.
Mn4Ga crystallizes in the trigonal R-3m space group. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent Mn(2), six equivalent Mn(1), and three equivalent Ga(1) atoms to form MnMn9Ga3 cuboctahedra that share corners with three equivalent Mn(2)Mn12 cuboctahedra, corners with nine equivalent Mn(1)Mn9Ga3 cuboctahedra, edges with six equivalent Ga(1)Mn6Ga6 cuboctahedra, edges with nine equivalent Mn(2)Mn12 cuboctahedra, edges with nine equivalent Mn(1)Mn9Ga3 cuboctahedra, faces with six equivalent Mn(2)Mn12 cuboctahedra, faces with six equivalent Mn(1)Mn9Ga3 cuboctahedra, and faces with six equivalent Ga(1)Mn6Ga6 cuboctahedra. All Mn(1)-Mn(2) bond lengths are 2.40 Å. All Mn(1)-Mn(1) bond lengths are 2.56 Å. All Mn(1)-Ga(1) bond lengths are 2.62 Å. In the second Mn site, Mn(2) is bonded to three equivalent Mn(1) and nine equivalent Mn(2) atoms to form MnMn12 cuboctahedra that share corners with three equivalent Mn(1)Mn9Ga3 cuboctahedra, corners with three equivalent Ga(1)Mn6Ga6 cuboctahedra, corners with six equivalent Mn(2)Mn12 cuboctahedra, edges with three equivalent Ga(1)Mn6Ga6 cuboctahedra, edges with nine equivalent Mn(1)Mn9Ga3 cuboctahedra, edges with twelve equivalent Mn(2)Mn12 cuboctahedra, faces with six equivalent Mn(1)Mn9Ga3 cuboctahedra, and faces with twelve equivalent Mn(2)Mn12 cuboctahedra. There are six shorter (2.56 Å) and three longer (2.58 Å) Mn(2)-Mn(2) bond lengths. In the third Mn site, Mn(2) is bonded to three equivalent Mn(1) and nine equivalent Mn(2) atoms to form MnMn12 cuboctahedra that share corners with three equivalent Mn(1)Mn9Ga3 cuboctahedra, corners with three equivalent Ga(1)Mn6Ga6 cuboctahedra, corners with six equivalent Mn(2)Mn12 cuboctahedra, edges with three equivalent Ga(1)Mn6Ga6 cuboctahedra, edges with nine equivalent Mn(1)Mn9Ga3 cuboctahedra, edges with twelve equivalent Mn(2)Mn12 cuboctahedra, faces with six equivalent Mn(1)Mn9Ga3 cuboctahedra, and faces with twelve equivalent Mn(2)Mn12 cuboctahedra. All Mn(2)-Mn(1) bond lengths are 2.40 Å. There are six shorter (2.56 Å) and three longer (2.58 Å) Mn(2)-Mn(2) bond lengths. In the fourth Mn site, Mn(2) is bonded to three equivalent Mn(1) and nine Mn(2,2) atoms to form MnMn12 cuboctahedra that share corners with three equivalent Mn(1)Mn9Ga3 cuboctahedra; corners with three equivalent Ga(1)Mn6Ga6 cuboctahedra; corners with six equivalent Mn(2)Mn12 cuboctahedra; edges with three equivalent Ga(1)Mn6Ga6 cuboctahedra; edges with nine equivalent Mn(1)Mn9Ga3 cuboctahedra; edges with twelve Mn(2,2)Mn12 cuboctahedra; faces with six equivalent Mn(1)Mn9Ga3 cuboctahedra; and faces with twelve Mn(2,2)Mn12 cuboctahedra. All Mn(2)-Mn(1) bond lengths are 2.40 Å. There are six shorter (2.56 Å) and three longer (2.58 Å) Mn(2)-Mn(2,2) bond lengths. In the fifth Mn site, Mn(2) is bonded to three equivalent Mn(1) and nine Mn(2,2) atoms to form MnMn12 cuboctahedra that share corners with three equivalent Mn(1)Mn9Ga3 cuboctahedra; corners with three equivalent Ga(1)Mn6Ga6 cuboctahedra; corners with six equivalent Mn(2)Mn12 cuboctahedra; edges with three equivalent Ga(1)Mn6Ga6 cuboctahedra; edges with nine equivalent Mn(1)Mn9Ga3 cuboctahedra; edges with twelve Mn(2,2)Mn12 cuboctahedra; faces with six equivalent Mn(1)Mn9Ga3 cuboctahedra; and faces with twelve Mn(2,2)Mn12 cuboctahedra. All Mn(2)-Mn(1) bond lengths are 2.40 Å. All Mn(2)-Mn(2) bond lengths are 2.56 Å. Ga(1) is bonded to six equivalent Mn(1) and six equivalent Ga(1) atoms to form GaMn6Ga6 cuboctahedra that share corners with six Mn(2,2)Mn12 cuboctahedra; corners with six equivalent Ga(1)Mn6Ga6 cuboctahedra; edges with six Mn(2,2)Mn12 cuboctahedra; edges with six equivalent Ga(1)Mn6Ga6 cuboctahedra; edges with twelve equivalent Mn(1)Mn9Ga3 cuboctahedra; faces with six equivalent Ga(1)Mn6Ga6 cuboctahedra; and faces with twelve equivalent Mn(1)Mn9Ga3 cuboctahedra. All Ga(1)-Ga(1) bond lengths are 2.56 Å.