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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Y4Ga12Pt by Materials Project

Y4PtGa12 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Y is bonded to twelve Ga atoms to form YGa12 cuboctahedra that share corners with twelve equivalent YGa12 cuboctahedra, edges with twelve equivalent GaY4Ga8 cuboctahedra, faces with six equivalent YGa12 cuboctahedra, faces with six equivalent GaY4Ga8 cuboctahedra, and faces with two equivalent PtGa6 octahedra. There are six shorter (3.06 Å) and six longer (3.09 Å) Y–Ga bond lengths. Pt is bonded to six equivalent Ga atoms to form PtGa6 octahedra that share corners with twenty-four equivalent GaY4Ga8 cuboctahedra and faces with eight equivalent YGa12 cuboctahedra. All Pt–Ga bond lengths are 2.57 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent Y, one Pt, and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.79 Å. In the second Ga site, Ga is bonded to four equivalent Y and eight Ga atoms to form distorted GaY4Ga8 cuboctahedra that share corners with four equivalent GaY4Ga8 cuboctahedra, corners with four equivalent PtGa6 octahedra, edges with eight equivalent YGa12 cuboctahedra, edges with eight equivalent GaY4Ga8 cuboctahedra, faces with four equivalent YGa12 cuboctahedra, and faces with six equivalent GaY4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 51°. All Ga–Ga bond lengths are 3.06 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YGaPt by Materials Project

YPtGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y is bonded in a 1-coordinate geometry to five equivalent Pt and six equivalent Ga atoms. There are a spread of Y–Pt bond distances ranging from 2.93–3.09 Å. There are a spread of Y–Ga bond distances ranging from 3.10–3.26 Å. Pt is bonded in a 9-coordinate geometry to five equivalent Y and four equivalent Ga atoms. There are three shorter (2.62 Å) and one longer (2.76 Å) Pt–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to six equivalent Y and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y6Ga17Pt5 by Materials Project

Y6Pt5Ga17 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded to twelve Ga atoms to form distorted YGa12 cuboctahedra that share an edgeedge with one GaY4Ga4Pt4 cuboctahedra and faces with two equivalent YGa12 cuboctahedra. There are a spread of Y–Ga bond distances ranging from 3.16–3.26 Å. In the second Y site, Y is bonded in a 10-coordinate geometry to two equivalent Pt and twelve Ga atoms. There are one shorter (3.06 Å) and one longer (3.07 Å) Y–Pt bond lengths. There are a spread of Y–Ga bond distances ranging from 3.04–3.45 Å. In the third Y site, Y is bonded in a 12-coordinate geometry to four Pt and nine Ga atoms. There are a spread of Y–Pt bond distances ranging from 3.08–3.19 Å. There are a spread of Y–Ga bond distances ranging from 3.09–3.42 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 12-coordinate geometry to two equivalent Y and six Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.54–2.71 Å. In the second Pt site, Pt is bonded in a 10-coordinate geometry to two equivalent Y and eight Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.58–2.83 Å. In the third Pt site, Pt is bonded in a 12-coordinate geometry to four equivalent Y and four Ga atoms. There are two shorter (2.63 Å) and two longer (2.64 Å) Pt–Ga bond lengths. There are nine inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to four Y, two equivalent Pt, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.62–2.73 Å. In the second Ga site, Ga is bonded in a 3-coordinate geometry to three Y, three Pt, and three equivalent Ga atoms. There are one shorter (2.64 Å) and two longer (2.68 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 10-coordinate geometry to four Y, three Pt, and three Ga atoms. There are two shorter (2.67 Å) and one longer (2.68 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to four Y, two equivalent Pt, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.61–2.71 Å. In the fifth Ga site, Ga is bonded in a 1-coordinate geometry to four Y, one Pt, and four Ga atoms. The Ga–Ga bond length is 2.56 Å. In the sixth Ga site, Ga is bonded in a 1-coordinate geometry to four Y, one Pt, and four Ga atoms. The Ga–Ga bond length is 2.51 Å. In the seventh Ga site, Ga is bonded in a 1-coordinate geometry to four Y, one Pt, and four Ga atoms. In the eighth Ga site, Ga is bonded in a 1-coordinate geometry to four Y, one Pt, and four Ga atoms. In the ninth Ga site, Ga is bonded to four equivalent Y, four equivalent Pt, and four Ga atoms to form distorted GaY4Ga4Pt4 cuboctahedra that share edges with two equivalent YGa12 cuboctahedra and faces with two equivalent GaY4Ga4Pt4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YGaPt2 by Materials Project

YPt2Ga crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two YPt2Ga ribbons oriented in the (1, 0, 0) direction. Y is bonded in a linear geometry to two equivalent Pt atoms. Both Y–Pt bond lengths are 2.52 Å. Pt is bonded in a linear geometry to one Y and one Ga atom. The Pt–Ga bond length is 2.54 Å. Ga is bonded in a linear geometry to two equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y3Ga9Pt2 by Materials Project

Y3Pt2Ga9 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded to twelve Ga atoms to form distorted YGa12 cuboctahedra that share edges with two equivalent GaY4Ga4Pt4 cuboctahedra and faces with two equivalent YGa12 cuboctahedra. There are eight shorter (3.17 Å) and four longer (3.24 Å) Y–Ga bond lengths. In the second Y site, Y is bonded in a 10-coordinate geometry to two equivalent Pt and twelve Ga atoms. Both Y–Pt bond lengths are 3.09 Å. There are a spread of Y–Ga bond distances ranging from 3.09–3.45 Å. Pt is bonded in a 10-coordinate geometry to two equivalent Y and eight Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.60–2.85 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Y, four equivalent Pt, and four equivalent Ga atoms to form GaY4Ga4Pt4 cuboctahedra that share edges with two equivalent YGa12 cuboctahedra and faces with two equivalent GaY4Ga4Pt4 cuboctahedra. All Ga–Ga bond lengths are 2.74 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four Y, one Pt, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.54–2.71 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to four Y, two equivalent Pt, and four Ga atoms.

36 MATERIALS SCIENCE↗