MnZn3 crystallizes in the trigonal R-3m space group. Mn(1) is bonded to six equivalent Mn(1) and six equivalent Zn(1) atoms to form MnMn6Zn6 cuboctahedra that share corners with six equivalent Mn(1)Mn6Zn6 cuboctahedra, corners with six equivalent Zn(2)Zn12 cuboctahedra, edges with six equivalent Mn(1)Mn6Zn6 cuboctahedra, edges with six equivalent Zn(2)Zn12 cuboctahedra, edges with twelve equivalent Zn(1)Mn3Zn9 cuboctahedra, faces with six equivalent Mn(1)Mn6Zn6 cuboctahedra, and faces with twelve equivalent Zn(1)Mn3Zn9 cuboctahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to three equivalent Mn(1), three equivalent Zn(2), and six equivalent Zn(1) atoms to form ZnMn3Zn9 cuboctahedra that share corners with twelve equivalent Zn(1)Mn3Zn9 cuboctahedra, edges with six equivalent Mn(1)Mn6Zn6 cuboctahedra, edges with six equivalent Zn(2)Zn12 cuboctahedra, edges with twelve equivalent Zn(1)Mn3Zn9 cuboctahedra, faces with six equivalent Mn(1)Mn6Zn6 cuboctahedra, faces with six equivalent Zn(1)Mn3Zn9 cuboctahedra, and faces with six equivalent Zn(2)Zn12 cuboctahedra. In the second Zn site, Zn(2) is bonded to six equivalent Zn(1) and six equivalent Zn(2) atoms to form ZnZn12 cuboctahedra that share corners with six equivalent Mn(1)Mn6Zn6 cuboctahedra, corners with six equivalent Zn(2)Zn12 cuboctahedra, edges with six equivalent Mn(1)Mn6Zn6 cuboctahedra, edges with six equivalent Zn(2)Zn12 cuboctahedra, edges with twelve equivalent Zn(1)Mn3Zn9 cuboctahedra, faces with six equivalent Zn(2)Zn12 cuboctahedra, and faces with twelve equivalent Zn(1)Mn3Zn9 cuboctahedra.
MnZn3 crystallizes in the trigonal R-3m space group. Mn(1) is bonded to six equivalent Mn(1) and six equivalent Zn(1) atoms to form MnMn6Zn6 cuboctahedra that share corners with six equivalent Mn(1)Mn6Zn6 cuboctahedra, corners with six equivalent Zn(2)Zn12 cuboctahedra, edges with six equivalent Mn(1)Mn6Zn6 cuboctahedra, edges with six equivalent Zn(2)Zn12 cuboctahedra, edges with twelve equivalent Zn(1)Mn3Zn9 cuboctahedra, faces with six equivalent Mn(1)Mn6Zn6 cuboctahedra, and faces with twelve equivalent Zn(1)Mn3Zn9 cuboctahedra. All Mn(1)-Mn(1) bond lengths are 2.74 Å. All Mn(1)-Zn(1) bond lengths are 2.67 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to three equivalent Mn(1), three equivalent Zn(2), and six equivalent Zn(1) atoms to form ZnMn3Zn9 cuboctahedra that share corners with twelve equivalent Zn(1)Mn3Zn9 cuboctahedra, edges with six equivalent Mn(1)Mn6Zn6 cuboctahedra, edges with six equivalent Zn(2)Zn12 cuboctahedra, edges with twelve equivalent Zn(1)Mn3Zn9 cuboctahedra, faces with six equivalent Mn(1)Mn6Zn6 cuboctahedra, faces with six equivalent Zn(1)Mn3Zn9 cuboctahedra, and faces with six equivalent Zn(2)Zn12 cuboctahedra. All Zn(1)-Zn(2) bond lengths are 2.80 Å. All Zn(1)-Zn(1) bond lengths are 2.74 Å. In the second Zn site, Zn(2) is bonded to six equivalent Zn(1) and six equivalent Zn(2) atoms to form ZnZn12 cuboctahedra that share corners with six equivalent Mn(1)Mn6Zn6 cuboctahedra, corners with six equivalent Zn(2)Zn12 cuboctahedra, edges with six equivalent Mn(1)Mn6Zn6 cuboctahedra, edges with six equivalent Zn(2)Zn12 cuboctahedra, edges with twelve equivalent Zn(1)Mn3Zn9 cuboctahedra, faces with six equivalent Zn(2)Zn12 cuboctahedra, and faces with twelve equivalent Zn(1)Mn3Zn9 cuboctahedra. All Zn(2)-Zn(2) bond lengths are 2.74 Å.