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MnZn is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Mn–Zn bond lengths are 2.60 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Mn atoms.
Mn3Zn is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to eight Mn and four equivalent Zn atoms to form MnMn8Zn4 cuboctahedra that share corners with twelve equivalent MnMn8Zn4 cuboctahedra, edges with eight equivalent ZnMn12 cuboctahedra, edges with sixteen MnMn8Zn4 cuboctahedra, faces with four equivalent ZnMn12 cuboctahedra, and faces with fourteen MnMn8Zn4 cuboctahedra. There are four shorter (2.48 Å) and four longer (2.59 Å) Mn–Mn bond lengths. All Mn–Zn bond lengths are 2.59 Å. In the second Mn site, Mn is bonded to eight equivalent Mn and four equivalent Zn atoms to form MnMn8Zn4 cuboctahedra that share corners with four equivalent MnMn8Zn4 cuboctahedra, corners with eight equivalent ZnMn12 cuboctahedra, edges with twenty-four MnMn8Zn4 cuboctahedra, faces with six equivalent ZnMn12 cuboctahedra, and faces with twelve MnMn8Zn4 cuboctahedra. All Mn–Zn bond lengths are 2.48 Å. Zn is bonded to twelve Mn atoms to form ZnMn12 cuboctahedra that share corners with four equivalent ZnMn12 cuboctahedra, corners with eight equivalent MnMn8Zn4 cuboctahedra, edges with eight equivalent ZnMn12 cuboctahedra, edges with sixteen equivalent MnMn8Zn4 cuboctahedra, faces with four equivalent ZnMn12 cuboctahedra, and faces with fourteen MnMn8Zn4 cuboctahedra.
MnZn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn is bonded to twelve equivalent Zn atoms to form MnZn12 cuboctahedra that share corners with six equivalent MnZn12 cuboctahedra, corners with twelve equivalent ZnMn4Zn8 cuboctahedra, edges with eighteen equivalent ZnMn4Zn8 cuboctahedra, faces with eight equivalent MnZn12 cuboctahedra, and faces with twelve equivalent ZnMn4Zn8 cuboctahedra. There are six shorter (2.68 Å) and six longer (2.74 Å) Mn–Zn bond lengths. Zn is bonded to four equivalent Mn and eight equivalent Zn atoms to form ZnMn4Zn8 cuboctahedra that share corners with four equivalent MnZn12 cuboctahedra, corners with fourteen equivalent ZnMn4Zn8 cuboctahedra, edges with six equivalent MnZn12 cuboctahedra, edges with twelve equivalent ZnMn4Zn8 cuboctahedra, faces with four equivalent MnZn12 cuboctahedra, and faces with sixteen equivalent ZnMn4Zn8 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.70–2.76 Å.
MnZn is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mn is bonded to six equivalent Mn and six equivalent Zn atoms to form MnMn6Zn6 cuboctahedra that share corners with eighteen equivalent MnMn6Zn6 cuboctahedra, edges with six equivalent MnMn6Zn6 cuboctahedra, edges with twelve equivalent ZnMn6Zn6 cuboctahedra, faces with eight equivalent MnMn6Zn6 cuboctahedra, and faces with twelve equivalent ZnMn6Zn6 cuboctahedra. All Mn–Mn bond lengths are 2.64 Å. All Mn–Zn bond lengths are 2.68 Å. Zn is bonded to six equivalent Mn and six equivalent Zn atoms to form ZnMn6Zn6 cuboctahedra that share corners with eighteen equivalent ZnMn6Zn6 cuboctahedra, edges with six equivalent ZnMn6Zn6 cuboctahedra, edges with twelve equivalent MnMn6Zn6 cuboctahedra, faces with eight equivalent ZnMn6Zn6 cuboctahedra, and faces with twelve equivalent MnMn6Zn6 cuboctahedra. All Zn–Zn bond lengths are 2.64 Å.