Materials Data on Ho5(Ge5Rh2)2 by Materials Project

Abstract

Ho5(Rh2Ge5)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 8-coordinate geometry to four equivalent Rh and twelve Ge atoms. All Ho–Rh bond lengths are 3.22 Å. There are eight shorter (2.98 Å) and four longer (3.36 Å) Ho–Ge bond lengths. In the second Ho site, Ho is bonded in a 12-coordinate geometry to four equivalent Rh and ten Ge atoms. All Ho–Rh bond lengths are 3.33 Å. There are a spread of Ho–Ge bond distances ranging from 3.24–3.35 Å. In the third Ho site, Ho is bonded to four equivalent Rh and eight Ge atoms to form face-sharing HoGe8Rh4 cuboctahedra. All Ho–Rh bond lengths are 3.12 Å. There are a spread of Ho–Ge bond distances ranging from 2.93–3.14 Å. Rh is bonded in a 5-coordinate geometry to five Ho 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 Ho, two equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.47 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Ho, two equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.54 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four Ho and two equivalent Rh atoms.