Materials Data on Sm2CdSb4 by Materials Project

Abstract

Sm2CdSb4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are four shorter (3.23 Å) and four longer (3.32 Å) Sm–Sb bond lengths. Cd2+ is bonded to four equivalent Sb2- atoms to form corner-sharing CdSb4 tetrahedra. All Cd–Sb bond lengths are 2.89 Å. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded to four equivalent Sm3+ and two equivalent Cd2+ atoms to form a mixture of distorted corner, edge, and face-sharing SbSm4Cd2 pentagonal pyramids. In the second Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent Sb2- atoms. All Sb–Sb bond lengths are 3.08 Å.