YMn12 crystallizes in the tetragonal I4/mmm space group. Y(1) is bonded in a 20-coordinate geometry to four equivalent Mn(2), eight equivalent Mn(1), and eight equivalent Mn(3) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent Y(1), two equivalent Mn(1), four equivalent Mn(2), and four equivalent Mn(3) atoms to form a mixture of corner, face, and edge-sharing MnY2Mn10 cuboctahedra. In the second Mn site, Mn(2) is bonded in a 1-coordinate geometry to one Y(1), one Mn(2), four equivalent Mn(1), and four equivalent Mn(3) atoms. In the third Mn site, Mn(3) is bonded to two equivalent Y(1), two equivalent Mn(3), four equivalent Mn(1), and four equivalent Mn(2) atoms to form a mixture of distorted corner, face, and edge-sharing MnY2Mn10 cuboctahedra.
YMn12 crystallizes in the tetragonal I4/mmm space group. Y(1) is bonded in a 20-coordinate geometry to four equivalent Mn(2), eight equivalent Mn(1), and eight equivalent Mn(3) atoms. All Y(1)-Mn(2) bond lengths are 3.16 Å. All Y(1)-Mn(1) bond lengths are 3.24 Å. All Y(1)-Mn(3) bond lengths are 3.14 Å. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent Y(1), two equivalent Mn(1), four equivalent Mn(2), and four equivalent Mn(3) atoms to form a mixture of corner, face, and edge-sharing MnY2Mn10 cuboctahedra. Both Mn(1)-Mn(1) bond lengths are 2.46 Å. All Mn(1)-Mn(2) bond lengths are 2.66 Å. All Mn(1)-Mn(3) bond lengths are 2.45 Å. In the second Mn site, Mn(2) is bonded in a 1-coordinate geometry to one Y(1), one Mn(2), four equivalent Mn(1), and four equivalent Mn(3) atoms. The Mn(2)-Mn(2) bond length is 2.17 Å. There are two shorter (2.52 Å) and two longer (2.73 Å) Mn(2)-Mn(3) bond lengths. In the third Mn site, Mn(3) is bonded to two equivalent Y(1), two equivalent Mn(3), four equivalent Mn(1), and four equivalent Mn(2) atoms to form a mixture of distorted corner, face, and edge-sharing MnY2Mn10 cuboctahedra. Both Mn(3)-Mn(3) bond lengths are 2.77 Å.