Materials Data on Y2(GePt3)3 by Materials Project

Abstract

Y2(Pt3Ge)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Y3+ is bonded in a 11-coordinate geometry to eleven Pt2- atoms. There are a spread of Y–Pt bond distances ranging from 2.97–3.22 Å. There are five inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 12-coordinate geometry to three equivalent Y3+ and three Ge4+ atoms. There are one shorter (2.56 Å) and two longer (2.71 Å) Pt–Ge bond lengths. In the second Pt2- site, Pt2- is bonded in a 2-coordinate geometry to two equivalent Y3+ and two Ge4+ atoms. There are one shorter (2.48 Å) and one longer (2.50 Å) Pt–Ge bond lengths. In the third Pt2- site, Pt2- is bonded in a 12-coordinate geometry to three equivalent Y3+ and three Ge4+ atoms. There are a spread of Pt–Ge bond distances ranging from 2.53–2.74 Å. In the fourth Pt2- site, Pt2- is bonded in a 2-coordinate geometry to two equivalent Y3+ and two equivalent Ge4+ atoms. Both Pt–Ge bond lengths are 2.49 Å. In the fifth Pt2- site, Pt2- is bonded in a 5-coordinate geometry to two equivalent Y3+ and three Ge4+ atoms. There are a spread of Pt–Ge bond distances ranging from 2.64–2.90 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a distorted hexagonal bipyramidal geometry to eight Pt2- atoms. In the second Ge4+ site, Ge4+ is bonded in a 8-coordinate geometry to eight Pt2- atoms.