Materials Data on TbMn5Ge3 by Materials Project

Abstract

TbMn5Ge3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Tb–Ge bond distances ranging from 3.17–3.22 Å. There are five inequivalent Mn sites. In the first Mn site, Mn is bonded to four Ge atoms to form a mixture of distorted corner and edge-sharing MnGe4 tetrahedra. There are a spread of Mn–Ge bond distances ranging from 2.64–2.68 Å. In the second Mn site, Mn is bonded to four Ge atoms to form a mixture of distorted corner and edge-sharing MnGe4 tetrahedra. There are three shorter (2.70 Å) and one longer (2.73 Å) Mn–Ge bond lengths. In the third Mn site, Mn is bonded to four Ge atoms to form a mixture of distorted corner and edge-sharing MnGe4 tetrahedra. There are a spread of Mn–Ge bond distances ranging from 2.64–2.73 Å. In the fourth Mn site, Mn is bonded to four Ge atoms to form a mixture of distorted corner and edge-sharing MnGe4 tetrahedra. There are three shorter (2.67 Å) and one longer (2.73 Å) Mn–Ge bond lengths. In the fifth Mn site, Mn is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.83–2.89 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Tb and seven Mn atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Tb and seven Mn atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Tb and seven Mn atoms.