Materials Data on Ce2Sb3Rh4 by Materials Project

Abstract

Ce2Rh4Sb3 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to eight Rh and four equivalent Sb atoms. There are four shorter (2.81 Å) and four longer (3.33 Å) Ce–Rh bond lengths. All Ce–Sb bond lengths are 3.19 Å. In the second Ce site, Ce is bonded in a 8-coordinate geometry to eight Rh and eight Sb atoms. There are four shorter (3.56 Å) and four longer (3.78 Å) Ce–Rh bond lengths. There are four shorter (3.28 Å) and four longer (3.42 Å) Ce–Sb bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 4-coordinate geometry to four Ce and two equivalent Sb atoms. Both Rh–Sb bond lengths are 2.67 Å. In the second Rh site, Rh is bonded in a 12-coordinate geometry to four Ce, four equivalent Rh, and four Sb atoms. All Rh–Rh bond lengths are 3.03 Å. There are two shorter (2.63 Å) and two longer (2.65 Å) Rh–Sb bond lengths. There are three inequivalent Sb sites. In the first Sb site, Sb is bonded in a 9-coordinate geometry to four equivalent Ce, four equivalent Rh, and one Sb atom. The Sb–Sb bond length is 2.84 Å. In the second Sb site, Sb is bonded in a 9-coordinate geometry to four equivalent Ce, four equivalent Rh, and one Sb atom. In the third Sb site, Sb is bonded in a 8-coordinate geometry to four equivalent Ce and four equivalent Rh atoms.