Materials Data on YMn12 by Materials Project
YMn12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to twenty Mn atoms. There are a spread of Y–Mn bond distances ranging from 3.02–3.15 Å. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded to two equivalent Y and ten Mn atoms to form a mixture of face, edge, and corner-sharing MnY2Mn10 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.36–2.57 Å. In the second Mn site, Mn is bonded in a 1-coordinate geometry to one Y and thirteen Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.23–2.83 Å. In the third Mn site, Mn is bonded to two equivalent Y and ten Mn atoms to form a mixture of distorted face, edge, and corner-sharing MnY2Mn10 cuboctahedra. Both Mn–Mn bond lengths are 2.69 Å.