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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CaGaPt by Materials Project

CaPtGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca is bonded in a 1-coordinate geometry to six equivalent Pt and six equivalent Ga atoms. There are a spread of Ca–Pt bond distances ranging from 3.01–3.51 Å. There are a spread of Ca–Ga bond distances ranging from 3.13–3.33 Å. Pt is bonded in a 9-coordinate geometry to six equivalent Ca and four equivalent Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.62–2.66 Å. Ga is bonded in a 4-coordinate geometry to six equivalent Ca and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca3(GaPt)2 by Materials Project

Ca3(PtGa)2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 6-coordinate geometry to four equivalent Pt and five Ga atoms. There are a spread of Ca–Pt bond distances ranging from 3.02–3.13 Å. There are a spread of Ca–Ga bond distances ranging from 3.11–3.51 Å. In the second Ca site, Ca is bonded in a 7-coordinate geometry to four equivalent Pt and three equivalent Ga atoms. All Ca–Pt bond lengths are 3.15 Å. There are two shorter (3.07 Å) and one longer (3.21 Å) Ca–Ga bond lengths. Pt is bonded in a 9-coordinate geometry to six Ca and three Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.56–2.65 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to six equivalent Ca and four equivalent Pt atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to seven Ca and two equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca2GaPt2 by Materials Project

Ca2Pt2Ga 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 Ga atoms. There are a spread of Ca–Pt bond distances ranging from 3.06–3.13 Å. There are a spread of Ca–Ga bond distances ranging from 3.34–3.45 Å. Pt is bonded in a 2-coordinate geometry to six equivalent Ca and two equivalent Ga atoms. There are one shorter (2.56 Å) and one longer (2.59 Å) Pt–Ga bond lengths. Ga is bonded in a 12-coordinate geometry to eight equivalent Ca and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaGa3Pt by Materials Project

CaPtGa3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to four equivalent Pt and twelve Ga atoms. All Ca–Pt bond lengths are 3.27 Å. There are a spread of Ca–Ga bond distances ranging from 3.22–3.54 Å. Pt is bonded in a 9-coordinate geometry to four equivalent Ca and five Ga atoms. There are one shorter (2.49 Å) and four longer (2.55 Å) Pt–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted bent 120 degrees geometry to four equivalent Ca, two equivalent Pt, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.68 Å. In the second Ga site, Ga is bonded in a distorted single-bond geometry to four equivalent Ca, one Pt, and four equivalent Ga atoms.

36 MATERIALS SCIENCE↗