Materials Data on Mg5(Si8Pt5)2 by Materials Project

Abstract

Mg5(Pt5Si8)2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to six Pt1- atoms. There are three shorter (2.81 Å) and three longer (2.96 Å) Mg–Pt bond lengths. In the second Mg2+ site, Mg2+ is bonded in a tetrahedral geometry to four equivalent Pt1- atoms. All Mg–Pt bond lengths are 2.79 Å. There are two inequivalent Pt1- sites. In the first Pt1- site, Pt1- is bonded in a 7-coordinate geometry to four Mg2+ and three equivalent Si atoms. All Pt–Si bond lengths are 2.40 Å. In the second Pt1- site, Pt1- is bonded in a 8-coordinate geometry to two equivalent Mg2+ and six Si atoms. There are two shorter (2.41 Å) and four longer (2.63 Å) Pt–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 6-coordinate geometry to three Pt1- and three equivalent Si atoms. There are one shorter (2.38 Å) and two longer (2.50 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a distorted trigonal planar geometry to three equivalent Pt1- atoms.