Materials Data on Tb2CuGe6 by Materials Project

Abstract

Tb2CuGe6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Tb–Ge bond distances ranging from 2.99–3.14 Å. In the second Tb site, Tb is bonded in a 8-coordinate geometry to four equivalent Cu and ten Ge atoms. All Tb–Cu bond lengths are 3.10 Å. There are a spread of Tb–Ge bond distances ranging from 3.11–3.35 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Tb and five Ge atoms. There are one shorter (2.32 Å) and four longer (2.41 Å) Cu–Ge bond lengths. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Tb, two equivalent Cu, and five Ge atoms. There are one shorter (2.47 Å) and four longer (2.88 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Tb and five Ge atoms. All Ge–Ge bond lengths are 2.88 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to six Tb and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.52 Å. In the fourth Ge site, Ge is bonded in a 1-coordinate geometry to six Tb, one Cu, and two equivalent Ge atoms. In the fifth Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Tb and five Ge atoms. The Ge–Ge bond length is 2.49 Å. In the sixth Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Tb, two equivalent Cu, and five Ge atoms.