Materials Data on CaGe2Pt by Materials Project

Abstract

CaPtGe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 10-coordinate geometry to four equivalent Pt and ten Ge atoms. All Ca–Pt bond lengths are 3.29 Å. There are a spread of Ca–Ge bond distances ranging from 3.30–3.47 Å. In the second Ca site, Ca is bonded in a 8-coordinate geometry to six equivalent Pt and nine Ge atoms. All Ca–Pt bond lengths are 3.28 Å. There are a spread of Ca–Ge bond distances ranging from 3.05–3.51 Å. Pt is bonded in a 10-coordinate geometry to five Ca and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.51–2.68 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to five Ca and two equivalent Pt atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Ca, two equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.44 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Ca, three equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.66 Å.