Materials Data on Tb5(Ge5Rh2)2 by Materials Project

Abstract

Tb5(Rh2Ge5)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 8-coordinate geometry to four equivalent Rh and twelve Ge atoms. All Tb–Rh bond lengths are 3.23 Å. There are eight shorter (3.01 Å) and four longer (3.36 Å) Tb–Ge bond lengths. In the second Tb site, Tb is bonded to four equivalent Rh and eight Ge atoms to form face-sharing TbGe8Rh4 cuboctahedra. All Tb–Rh bond lengths are 3.13 Å. There are a spread of Tb–Ge bond distances ranging from 2.96–3.13 Å. In the third Tb site, Tb is bonded in a 8-coordinate geometry to four equivalent Rh and ten Ge atoms. All Tb–Rh bond lengths are 3.35 Å. There are a spread of Tb–Ge bond distances ranging from 3.26–3.34 Å. Rh is bonded in a 10-coordinate geometry to five Tb and five Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.45–2.58 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Tb, two equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.46 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Tb, two equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.57 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four Tb and two equivalent Rh atoms.