Materials Data on GdMn12 by Materials Project
GdMn12 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to twenty Mn atoms. There are a spread of Gd–Mn bond distances ranging from 2.98–3.17 Å. There are ten inequivalent Mn sites. In the first Mn site, Mn is bonded in a 1-coordinate geometry to one Gd and thirteen Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.29–2.83 Å. In the second Mn site, Mn is bonded to two equivalent Gd and ten Mn atoms to form a mixture of distorted edge, face, and corner-sharing MnGd2Mn10 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.38–2.68 Å. In the third Mn site, Mn is bonded to two equivalent Gd and ten Mn atoms to form a mixture of distorted edge, face, and corner-sharing MnGd2Mn10 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.39–2.69 Å. In the fourth Mn site, Mn is bonded to two equivalent Gd and ten Mn atoms to form a mixture of distorted edge, face, and corner-sharing MnGd2Mn10 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.37–2.68 Å. In the fifth Mn site, Mn is bonded to two equivalent Gd and ten Mn atoms to form a mixture of distorted edge, face, and corner-sharing MnGd2Mn10 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.31–2.56 Å. In the sixth Mn site, Mn is bonded to two equivalent Gd and ten Mn atoms to form a mixture of distorted edge, face, and corner-sharing MnGd2Mn10 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.40–2.57 Å. In the seventh Mn site, Mn is bonded in a 1-coordinate geometry to one Gd and thirteen Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.28–2.82 Å. In the eighth Mn site, Mn is bonded in a 1-coordinate geometry to one Gd and thirteen Mn atoms. There are two shorter (2.58 Å) and two longer (2.82 Å) Mn–Mn bond lengths. In the ninth Mn site, Mn is bonded to two equivalent Gd and ten Mn atoms to form a mixture of distorted edge, face, and corner-sharing MnGd2Mn10 cuboctahedra. There are two shorter (2.31 Å) and one longer (2.58 Å) Mn–Mn bond lengths. In the tenth Mn site, Mn is bonded in a 1-coordinate geometry to one Gd and thirteen Mn atoms.