Materials Data on ThSiPt by Materials Project

Abstract

ThPtSi crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Th is bonded to six equivalent Pt and six equivalent Si atoms to form a mixture of distorted edge and face-sharing ThSi6Pt6 cuboctahedra. There are four shorter (3.11 Å) and two longer (3.43 Å) Th–Pt bond lengths. There are four shorter (3.17 Å) and two longer (3.28 Å) Th–Si bond lengths. Pt is bonded in a 1-coordinate geometry to six equivalent Th, two equivalent Pt, and one Si atom. Both Pt–Pt bond lengths are 2.73 Å. The Pt–Si bond length is 2.38 Å. Si is bonded in a 1-coordinate geometry to six equivalent Th, one Pt, and two equivalent Si atoms. Both Si–Si bond lengths are 2.32 Å.