Mn3Ga is beta-derived structured and crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent Mn(1) and six equivalent Mn(2) atoms to form MnMn12 cuboctahedra that share corners with six equivalent Mn(1)Mn12 cuboctahedra, corners with twelve equivalent Ga(1)Mn6Ga6 cuboctahedra, edges with six equivalent Mn(1)Mn12 cuboctahedra, edges with twelve equivalent Mn(2)Mn9Ga3 cuboctahedra, faces with two equivalent Ga(1)Mn6Ga6 cuboctahedra, faces with six equivalent Mn(1)Mn12 cuboctahedra, and faces with twelve equivalent Mn(2)Mn9Ga3 cuboctahedra. In the second Mn site, Mn(2) is bonded to three equivalent Mn(1), six equivalent Mn(2), and three equivalent Ga(1) atoms to form MnMn9Ga3 cuboctahedra that share corners with eighteen equivalent Mn(2)Mn9Ga3 cuboctahedra, edges with six equivalent Mn(1)Mn12 cuboctahedra, edges with six equivalent Mn(2)Mn9Ga3 cuboctahedra, edges with six equivalent Ga(1)Mn6Ga6 cuboctahedra, faces with six equivalent Mn(1)Mn12 cuboctahedra, faces with six equivalent Ga(1)Mn6Ga6 cuboctahedra, and faces with eight equivalent Mn(2)Mn9Ga3 cuboctahedra. Ga(1) is bonded to six equivalent Mn(2) and six equivalent Ga(1) atoms to form GaMn6Ga6 cuboctahedra that share corners with six equivalent Ga(1)Mn6Ga6 cuboctahedra, corners with twelve equivalent Mn(1)Mn12 cuboctahedra, edges with six equivalent Ga(1)Mn6Ga6 cuboctahedra, edges with twelve equivalent Mn(2)Mn9Ga3 cuboctahedra, faces with two equivalent Mn(1)Mn12 cuboctahedra, faces with six equivalent Ga(1)Mn6Ga6 cuboctahedra, and faces with twelve equivalent Mn(2)Mn9Ga3 cuboctahedra.
Mn3Ga is beta-derived structured and crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent Mn(1) and six equivalent Mn(2) atoms to form MnMn12 cuboctahedra that share corners with six equivalent Mn(1)Mn12 cuboctahedra, corners with twelve equivalent Ga(1)Mn6Ga6 cuboctahedra, edges with six equivalent Mn(1)Mn12 cuboctahedra, edges with twelve equivalent Mn(2)Mn9Ga3 cuboctahedra, faces with two equivalent Ga(1)Mn6Ga6 cuboctahedra, faces with six equivalent Mn(1)Mn12 cuboctahedra, and faces with twelve equivalent Mn(2)Mn9Ga3 cuboctahedra. All Mn(1)-Mn(1) bond lengths are 2.60 Å. All Mn(1)-Mn(2) bond lengths are 2.46 Å. In the second Mn site, Mn(2) is bonded to three equivalent Mn(1), six equivalent Mn(2), and three equivalent Ga(1) atoms to form MnMn9Ga3 cuboctahedra that share corners with eighteen equivalent Mn(2)Mn9Ga3 cuboctahedra, edges with six equivalent Mn(1)Mn12 cuboctahedra, edges with six equivalent Mn(2)Mn9Ga3 cuboctahedra, edges with six equivalent Ga(1)Mn6Ga6 cuboctahedra, faces with six equivalent Mn(1)Mn12 cuboctahedra, faces with six equivalent Ga(1)Mn6Ga6 cuboctahedra, and faces with eight equivalent Mn(2)Mn9Ga3 cuboctahedra. All Mn(2)-Mn(2) bond lengths are 2.60 Å. All Mn(2)-Ga(1) bond lengths are 2.60 Å. Ga(1) is bonded to six equivalent Mn(2) and six equivalent Ga(1) atoms to form GaMn6Ga6 cuboctahedra that share corners with six equivalent Ga(1)Mn6Ga6 cuboctahedra, corners with twelve equivalent Mn(1)Mn12 cuboctahedra, edges with six equivalent Ga(1)Mn6Ga6 cuboctahedra, edges with twelve equivalent Mn(2)Mn9Ga3 cuboctahedra, faces with two equivalent Mn(1)Mn12 cuboctahedra, faces with six equivalent Ga(1)Mn6Ga6 cuboctahedra, and faces with twelve equivalent Mn(2)Mn9Ga3 cuboctahedra. All Ga(1)-Ga(1) bond lengths are 2.60 Å.