Materials Data on Nd2Sb4Ir3 by Materials Project

Abstract

Nd2Ir3Sb4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 5-coordinate geometry to eight Ir and nine Sb atoms. There are a spread of Nd–Ir bond distances ranging from 3.23–3.69 Å. There are a spread of Nd–Sb bond distances ranging from 3.34–3.90 Å. In the second Nd site, Nd is bonded in a 8-coordinate geometry to six Ir and nine Sb atoms. There are a spread of Nd–Ir bond distances ranging from 3.29–3.62 Å. There are a spread of Nd–Sb bond distances ranging from 3.27–3.85 Å. There are three inequivalent Ir sites. In the first Ir site, Ir is bonded in a 10-coordinate geometry to five Nd and five Sb atoms. There are a spread of Ir–Sb bond distances ranging from 2.64–2.74 Å. In the second Ir site, Ir is bonded in a 10-coordinate geometry to four Nd, two equivalent Ir, and four Sb atoms. Both Ir–Ir bond lengths are 3.03 Å. There are one shorter (2.61 Å) and three longer (2.66 Å) Ir–Sb bond lengths. In the third Ir site, Ir is bonded in a 5-coordinate geometry to five Nd and five Sb atoms. There are a spread of Ir–Sb bond distances ranging from 2.60–2.69 Å. There are four inequivalent Sb sites. In the first Sb site, Sb is bonded in a 3-coordinate geometry to five Nd and three Ir atoms. In the second Sb site, Sb is bonded in a 6-coordinate geometry to four Nd and three Ir atoms. In the third Sb site, Sb is bonded in a 6-coordinate geometry to five Nd and four Ir atoms. In the fourth Sb site, Sb is bonded in a 8-coordinate geometry to four Nd and four Ir atoms.