Materials Data on TiMnGe by Materials Project

Abstract

TiMnGe crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are three inequivalent Ti sites. In the first Ti site, Ti is bonded in a 4-coordinate geometry to five Ge atoms. There are a spread of Ti–Ge bond distances ranging from 2.64–2.90 Å. In the second Ti site, Ti is bonded to six Ge atoms to form distorted face-sharing TiGe6 square pyramids. There are a spread of Ti–Ge bond distances ranging from 2.63–3.08 Å. In the third Ti site, Ti is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Ti–Ge bond distances ranging from 2.63–2.67 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 4-coordinate geometry to four Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.42–2.50 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to four Ge atoms. There are two shorter (2.46 Å) and two longer (2.51 Å) Mn–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Ti and three Mn atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to four Ti and six Mn atoms.