Materials Data on Ca(GePt)2 by Materials Project

Abstract

Ca(PtGe)2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to eight Pt and eight Ge atoms. There are a spread of Ca–Pt bond distances ranging from 3.21–3.43 Å. There are a spread of Ca–Ge bond distances ranging from 3.21–3.42 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 4-coordinate geometry to four equivalent Ca and four equivalent Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.53–2.56 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to four equivalent Ca and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.44–2.56 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Ca and five Pt atoms. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Ca and four equivalent Pt atoms.