Materials Data on TaMnGe by Materials Project

Abstract

TaMnGe crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 4-coordinate geometry to two equivalent Mn and four Ge atoms. There are one shorter (2.72 Å) and one longer (2.95 Å) Ta–Mn bond lengths. There are a spread of Ta–Ge bond distances ranging from 2.53–2.63 Å. In the second Ta site, Ta is bonded in a 4-coordinate geometry to two equivalent Mn and four Ge atoms. Both Ta–Mn bond lengths are 2.84 Å. There are two shorter (2.59 Å) and two longer (2.64 Å) Ta–Ge bond lengths. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a 11-coordinate geometry to six Ta and five Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.79–2.97 Å. In the second 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 2.58–2.75 Å. In the third 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 2.66–2.89 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Ta and six Mn atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Ta and three Mn atoms.