Materials Data on Tb3(Ge3Pt2)2 by Materials Project

Abstract

Tb3(Pt2Ge3)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 2-coordinate geometry to six Pt and nine Ge atoms. There are a spread of Tb–Pt bond distances ranging from 3.22–3.28 Å. There are a spread of Tb–Ge bond distances ranging from 3.05–3.57 Å. In the second Tb site, Tb is bonded in a 2-coordinate geometry to six Pt and nine Ge atoms. There are a spread of Tb–Pt bond distances ranging from 3.29–3.36 Å. There are a spread of Tb–Ge bond distances ranging from 3.25–3.44 Å. In the third Tb site, Tb is bonded in a 7-coordinate geometry to six Pt and nine Ge atoms. There are four shorter (3.31 Å) and two longer (3.40 Å) Tb–Pt bond lengths. There are a spread of Tb–Ge bond distances ranging from 3.19–3.45 Å. There are four inequivalent Pt sites. In the first Pt site, Pt is bonded in a 10-coordinate geometry to five Tb and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.49–2.70 Å. In the second Pt site, Pt is bonded in a 5-coordinate geometry to four Tb and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.45–2.52 Å. In the third Pt site, Pt is bonded in a 10-coordinate geometry to five Tb and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.49–2.69 Å. In the fourth Pt site, Pt is bonded in a 5-coordinate geometry to four Tb and five Ge atoms. There are one shorter (2.42 Å) and four longer (2.53 Å) Pt–Ge bond lengths. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four Tb and four Pt atoms. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four Tb, three Pt, and one Ge atom. The Ge–Ge bond length is 2.61 Å. In the third Ge site, Ge is bonded in a distorted trigonal planar geometry to five Tb and three Pt atoms. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to four Tb, three Pt, and one Ge atom. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to six Tb and three Pt atoms. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to four Tb and four Pt atoms.