HoMn12 crystallizes in the tetragonal I4/mmm space group. Ho(1) is bonded in a 20-coordinate geometry to four equivalent Mn(3), eight equivalent Mn(1), and eight equivalent Mn(2) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent Ho(1), two equivalent Mn(1), four equivalent Mn(2), and four equivalent Mn(3) atoms to form a mixture of distorted corner, face, and edge-sharing MnHo2Mn10 cuboctahedra. In the second Mn site, Mn(2) is bonded to two equivalent Ho(1), two equivalent Mn(2), four equivalent Mn(1), and four equivalent Mn(3) atoms to form a mixture of corner, face, and edge-sharing MnHo2Mn10 cuboctahedra. In the third Mn site, Mn(3) is bonded in a 14-coordinate geometry to one Ho(1), four equivalent Mn(1), four equivalent Mn(2), and five equivalent Mn(3) atoms.
HoMn12 crystallizes in the tetragonal I4/mmm space group. Ho(1) is bonded in a 20-coordinate geometry to four equivalent Mn(3), eight equivalent Mn(1), and eight equivalent Mn(2) atoms. All Ho(1)-Mn(3) bond lengths are 3.15 Å. All Ho(1)-Mn(1) bond lengths are 3.25 Å. All Ho(1)-Mn(2) bond lengths are 3.41 Å. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent Ho(1), two equivalent Mn(1), four equivalent Mn(2), and four equivalent Mn(3) atoms to form a mixture of distorted corner, face, and edge-sharing MnHo2Mn10 cuboctahedra. Both Mn(1)-Mn(1) bond lengths are 2.82 Å. All Mn(1)-Mn(2) bond lengths are 2.58 Å. There are two shorter (2.79 Å) and two longer (2.82 Å) Mn(1)-Mn(3) bond lengths. In the second Mn site, Mn(2) is bonded to two equivalent Ho(1), two equivalent Mn(2), four equivalent Mn(1), and four equivalent Mn(3) atoms to form a mixture of corner, face, and edge-sharing MnHo2Mn10 cuboctahedra. Both Mn(2)-Mn(2) bond lengths are 2.57 Å. All Mn(2)-Mn(3) bond lengths are 2.73 Å. In the third Mn site, Mn(3) is bonded in a 14-coordinate geometry to one Ho(1), four equivalent Mn(1), four equivalent Mn(2), and five equivalent Mn(3) atoms. There is one shorter (2.61 Å) and four longer (3.16 Å) Mn(3)-Mn(3) bond lengths.