Materials Data on Tb3Rh2 by Materials Project

Abstract

Tb3Rh2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are five inequivalent Tb sites. In the first Tb site, Tb is bonded in a 6-coordinate geometry to six Rh atoms. There are a spread of Tb–Rh bond distances ranging from 2.89–3.49 Å. In the second Tb site, Tb is bonded in a 4-coordinate geometry to four Rh atoms. There are two shorter (2.73 Å) and two longer (2.85 Å) Tb–Rh bond lengths. In the third Tb site, Tb is bonded in a 6-coordinate geometry to six Rh atoms. There are a spread of Tb–Rh bond distances ranging from 2.86–3.26 Å. In the fourth Tb site, Tb is bonded in a tetrahedral geometry to four equivalent Rh atoms. All Tb–Rh bond lengths are 2.91 Å. In the fifth Tb site, Tb is bonded in a 5-coordinate geometry to six Rh atoms. There are a spread of Tb–Rh bond distances ranging from 2.78–3.49 Å. There are six inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to eight Tb atoms. In the second Rh site, Rh is bonded in a 8-coordinate geometry to eight Tb atoms. In the third Rh site, Rh is bonded in a body-centered cubic geometry to eight equivalent Tb atoms. In the fourth Rh site, Rh is bonded in a 10-coordinate geometry to eight equivalent Tb atoms. In the fifth Rh site, Rh is bonded in a 6-coordinate geometry to eight Tb atoms. In the sixth Rh site, Rh is bonded in a 10-coordinate geometry to ten Tb atoms.