Materials Data on Nd8Sb14Rh17 by Materials Project

Abstract

Nd8Rh17Sb14 crystallizes in the tetragonal I4cm space group. The structure is three-dimensional. there are four inequivalent Nd sites. In the first Nd site, Nd is bonded in a 12-coordinate geometry to nine Rh and six Sb atoms. There are a spread of Nd–Rh bond distances ranging from 3.06–3.72 Å. There are a spread of Nd–Sb bond distances ranging from 3.27–3.37 Å. In the second Nd site, Nd is bonded in a 12-coordinate geometry to nine Rh and eight Sb atoms. There are a spread of Nd–Rh bond distances ranging from 3.51–3.62 Å. There are four shorter (3.37 Å) and four longer (3.44 Å) Nd–Sb bond lengths. In the third Nd site, Nd is bonded in a 10-coordinate geometry to ten Rh and six Sb atoms. There are a spread of Nd–Rh bond distances ranging from 3.17–3.66 Å. There are four shorter (3.38 Å) and two longer (3.44 Å) Nd–Sb bond lengths. In the fourth Nd site, Nd is bonded in a 1-coordinate geometry to eight Rh and seven Sb atoms. There are a spread of Nd–Rh bond distances ranging from 3.19–3.65 Å. There are a spread of Nd–Sb bond distances ranging from 3.25–3.86 Å. There are seven inequivalent Rh sites. In the first Rh site, Rh is bonded in a 12-coordinate geometry to four Nd and four Sb atoms. There are a spread of Rh–Sb bond distances ranging from 2.63–2.68 Å. In the second Rh site, Rh is bonded in a 11-coordinate geometry to four Nd, three Rh, and four Sb atoms. There are one shorter (2.88 Å) and two longer (2.95 Å) Rh–Rh bond lengths. There are two shorter (2.67 Å) and two longer (2.70 Å) Rh–Sb bond lengths. In the third Rh site, Rh is bonded in a 9-coordinate geometry to four equivalent Nd, one Rh, and four Sb atoms. There are one shorter (2.55 Å) and three longer (2.65 Å) Rh–Sb bond lengths. In the fourth Rh site, Rh is bonded in a 4-coordinate geometry to four Nd and four Sb atoms. There are a spread of Rh–Sb bond distances ranging from 2.62–2.69 Å. In the fifth Rh site, Rh is bonded in a 4-coordinate geometry to four Nd and four Sb atoms. There are a spread of Rh–Sb bond distances ranging from 2.62–2.67 Å. In the sixth Rh site, Rh is bonded in a 6-coordinate geometry to four Nd, one Rh, and four Sb atoms. There are a spread of Rh–Sb bond distances ranging from 2.58–2.70 Å. In the seventh Rh site, Rh is bonded in a 10-coordinate geometry to five Nd and five Sb atoms. There are four shorter (2.67 Å) and one longer (2.75 Å) Rh–Sb bond lengths. There are six inequivalent Sb sites. In the first Sb site, Sb is bonded in a 9-coordinate geometry to four Nd and five Rh atoms. In the second Sb site, Sb is bonded in a 8-coordinate geometry to four Nd and five Rh atoms. In the third Sb site, Sb is bonded in a 9-coordinate geometry to four equivalent Nd and five Rh atoms. In the fourth Sb site, Sb is bonded in a 7-coordinate geometry to three Nd and five Rh atoms. In the fifth Sb site, Sb is bonded in a 8-coordinate geometry to four equivalent Nd and four Rh atoms. In the sixth Sb site, Sb is bonded in a 9-coordinate geometry to four equivalent Nd and five Rh atoms.