Materials Data on Nd5Sn15Rh8 by Materials Project

Abstract

Nd5Rh8Sn15 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are five inequivalent Nd sites. In the first Nd site, Nd is bonded in a 6-coordinate geometry to four Rh and nine Sn atoms. There are two shorter (3.47 Å) and two longer (3.49 Å) Nd–Rh bond lengths. There are a spread of Nd–Sn bond distances ranging from 3.21–3.61 Å. In the second Nd site, Nd is bonded in a 6-coordinate geometry to seven Sn atoms. There are a spread of Nd–Sn bond distances ranging from 3.20–3.39 Å. In the third Nd site, Nd is bonded in a 6-coordinate geometry to four Rh and nine Sn atoms. There are two shorter (3.41 Å) and two longer (3.54 Å) Nd–Rh bond lengths. There are a spread of Nd–Sn bond distances ranging from 3.18–3.57 Å. In the fourth Nd site, Nd is bonded in a 6-coordinate geometry to two equivalent Rh and seven Sn atoms. Both Nd–Rh bond lengths are 3.37 Å. There are a spread of Nd–Sn bond distances ranging from 3.22–3.39 Å. In the fifth Nd site, Nd is bonded in a 4-coordinate geometry to four Rh atoms. There are a spread of Nd–Rh bond distances ranging from 2.90–3.06 Å. There are eight inequivalent Rh sites. In the first Rh site, Rh is bonded in a 7-coordinate geometry to four Nd and five Sn atoms. There are a spread of Rh–Sn bond distances ranging from 2.68–2.80 Å. In the second Rh site, Rh is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Rh–Sn bond distances ranging from 2.73–2.88 Å. In the third Rh site, Rh is bonded in a 9-coordinate geometry to three Nd and six Sn atoms. There are a spread of Rh–Sn bond distances ranging from 2.68–2.96 Å. In the fourth Rh site, Rh is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Rh–Sn bond distances ranging from 2.71–2.90 Å. In the fifth Rh site, Rh is bonded in a 7-coordinate geometry to two equivalent Nd and seven Sn atoms. There are a spread of Rh–Sn bond distances ranging from 2.73–2.86 Å. In the sixth Rh site, Rh is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Rh–Sn bond distances ranging from 2.74–2.85 Å. In the seventh Rh site, Rh is bonded in a 7-coordinate geometry to two equivalent Nd and seven Sn atoms. There are a spread of Rh–Sn bond distances ranging from 2.71–2.88 Å. In the eighth Rh site, Rh is bonded in a 9-coordinate geometry to three Nd and six Sn atoms. There are a spread of Rh–Sn bond distances ranging from 2.68–2.90 Å. There are fifteen inequivalent Sn sites. In the first Sn site, Sn is bonded in a 5-coordinate geometry to two equivalent Nd and three Rh atoms. In the second Sn site, Sn is bonded in a 10-coordinate geometry to three Nd, three Rh, and one Sn atom. The Sn–Sn bond length is 3.24 Å. In the third Sn site, Sn is bonded in a 5-coordinate geometry to two equivalent Nd and three Rh atoms. In the fourth Sn site, Sn is bonded in a 3-coordinate geometry to three Nd, three Rh, and one Sn atom. The Sn–Sn bond length is 3.25 Å. In the fifth Sn site, Sn is bonded in a 12-coordinate geometry to three Nd and three Rh atoms. In the sixth Sn site, Sn is bonded in a 10-coordinate geometry to three Nd, three Rh, and four Sn atoms. There are one shorter (3.18 Å) and two longer (3.21 Å) Sn–Sn bond lengths. In the seventh Sn site, Sn is bonded in a 3-coordinate geometry to three Nd and three Rh atoms. In the eighth Sn site, Sn is bonded in a 10-coordinate geometry to three Nd, three Rh, and four Sn atoms. The Sn–Sn bond length is 3.14 Å. In the ninth Sn site, Sn is bonded in a 6-coordinate geometry to two equivalent Nd and four Rh atoms. In the tenth Sn site, Sn is bonded in a 6-coordinate geometry to three Nd and four Rh atoms. In the eleventh Sn site, Sn is bonded in a 6-coordinate geometry to two equivalent Nd and four Rh atoms. In the twelfth Sn site, Sn is bonded in a 6-coordinate geometry to three Nd and four Rh atoms. In the thirteenth Sn site, Sn is bonded to four Rh and one Sn atom to form a mixture of distorted edge and corner-sharing SnSnRh4 tetrahedra. In the fourteenth Sn site, Sn is bonded in a 4-coordinate geometry to four Rh atoms. In the fifteenth Sn site, Sn is bonded to four Rh and one Sn atom to form a mixture of distorted edge and corner-sharing SnSnRh4 tetrahedra.