Materials Data on TiCoGe2 by Materials Project

Abstract

TiCoGe2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Ti–Ge bond distances ranging from 2.61–2.85 Å. In the second Ti site, Ti is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Ti–Ge bond distances ranging from 2.62–2.82 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.36–2.51 Å. In the second Co site, Co is bonded to six Ge atoms to form distorted edge-sharing CoGe6 cuboctahedra. There are a spread of Co–Ge bond distances ranging from 2.41–2.49 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Ti, two equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.49 Å. In the second Ge site, Ge is bonded in a 12-coordinate geometry to four equivalent Ti, two equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.49 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to five Ti and four Co atoms. In the fourth Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Ti and four Co atoms. In the fifth Ge site, Ge is bonded in a 7-coordinate geometry to three Ti, three Co, and one Ge atom. The Ge–Ge bond length is 2.50 Å.