Materials Data on Nd2CoSb4 by Materials Project

Abstract

Nd2CoSb4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine Sb2- atoms. There are a spread of Nd–Sb bond distances ranging from 3.31–3.45 Å. Co2+ is bonded to four equivalent Sb2- atoms to form corner-sharing CoSb4 tetrahedra. All Co–Sb bond lengths are 2.48 Å. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 2-coordinate geometry to five equivalent Nd3+ and two equivalent Co2+ atoms. In the second Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Nd3+ and four equivalent Sb2- atoms. All Sb–Sb bond lengths are 3.10 Å.