Materials Data on Sm3(Ge3Pt2)2 by Materials Project

Abstract

Sm3(Pt2Ge3)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 7-coordinate geometry to six Pt and nine Ge atoms. There are a spread of Sm–Pt bond distances ranging from 3.33–3.41 Å. There are a spread of Sm–Ge bond distances ranging from 3.24–3.45 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to six Pt and eight Ge atoms. There are a spread of Sm–Pt bond distances ranging from 3.23–3.30 Å. There are a spread of Sm–Ge bond distances ranging from 3.08–3.13 Å. In the third Sm site, Sm is bonded in a 12-coordinate geometry to six Pt and nine Ge atoms. There are a spread of Sm–Pt bond distances ranging from 3.30–3.37 Å. There are a spread of Sm–Ge bond distances ranging from 3.28–3.46 Å. There are four inequivalent Pt sites. In the first Pt site, Pt is bonded in a 10-coordinate geometry to five Sm and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.50–2.70 Å. In the second Pt site, Pt is bonded in a 10-coordinate geometry to five Sm and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.50–2.71 Å. In the third Pt site, Pt is bonded in a 5-coordinate geometry to four Sm and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.48–2.53 Å. In the fourth Pt site, Pt is bonded in a 5-coordinate geometry to four Sm and five Ge atoms. There are one shorter (2.44 Å) and four longer (2.55 Å) Pt–Ge bond lengths. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four Sm, three Pt, and one Ge atom. The Ge–Ge bond length is 2.62 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Sm and three Pt atoms. In the third Ge site, Ge is bonded in a 4-coordinate geometry to four Sm and four Pt atoms. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to four Sm, three Pt, and one Ge atom. In the fifth Ge site, Ge is bonded in a distorted trigonal planar geometry to four Sm and three Pt atoms. In the sixth Ge site, Ge is bonded in a 4-coordinate geometry to four Sm and four Pt atoms.