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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CaGePt by Materials Project

CaPtGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to six equivalent Pt and six equivalent Ge atoms. There are a spread of Ca–Pt bond distances ranging from 3.04–3.32 Å. There are a spread of Ca–Ge bond distances ranging from 3.08–3.28 Å. Pt is bonded in a 10-coordinate geometry to six equivalent Ca and four equivalent Ge atoms. There are three shorter (2.59 Å) and one longer (2.74 Å) Pt–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to six equivalent Ca and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca2GePt2 by Materials Project

Ca2Pt2Ge crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ca is bonded in a 6-coordinate geometry to six equivalent Pt and four equivalent Ge atoms. There are a spread of Ca–Pt bond distances ranging from 3.06–3.14 Å. There are a spread of Ca–Ge bond distances ranging from 3.31–3.54 Å. Pt is bonded in a 10-coordinate geometry to six equivalent Ca, two equivalent Pt, and two equivalent Ge atoms. There are one shorter (2.72 Å) and one longer (2.91 Å) Pt–Pt bond lengths. There are one shorter (2.57 Å) and one longer (2.58 Å) Pt–Ge bond lengths. Ge is bonded in a 12-coordinate geometry to eight equivalent Ca and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaGe2Pt by Materials Project

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca(GePt)2 by Materials Project

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca(GePt)2 by Materials Project

Ca(PtGe)2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Ca is bonded in a 7-coordinate geometry to eight Pt and eight Ge atoms. There are a spread of Ca–Pt bond distances ranging from 3.24–3.45 Å. There are a spread of Ca–Ge bond distances ranging from 3.23–3.39 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to four equivalent Ca and five Ge atoms. There are one shorter (2.46 Å) and four longer (2.56 Å) Pt–Ge bond lengths. In the second Pt site, Pt is bonded in a 4-coordinate geometry to four equivalent Ca and four equivalent Ge atoms. There are two shorter (2.55 Å) and two longer (2.56 Å) Pt–Ge bond lengths. 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 to four equivalent Ca and four equivalent Pt atoms to form a mixture of distorted face and edge-sharing GeCa4Pt4 tetrahedra.

36 MATERIALS SCIENCE↗