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Materials Data on Ho3Ga9Pt2 by Materials Project

Ho3Pt2Ga9 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to twelve Ga atoms to form HoGa12 cuboctahedra that share edges with two equivalent GaHo4Ga4Pt4 cuboctahedra and faces with two equivalent HoGa12 cuboctahedra. There are eight shorter (3.16 Å) and four longer (3.22 Å) Ho–Ga bond lengths. In the second Ho site, Ho is bonded in a 10-coordinate geometry to two equivalent Pt and twelve Ga atoms. Both Ho–Pt bond lengths are 3.06 Å. There are a spread of Ho–Ga bond distances ranging from 3.08–3.39 Å. Pt is bonded in a 10-coordinate geometry to two equivalent Ho and eight Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.59–2.82 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Ho, four equivalent Pt, and four equivalent Ga atoms to form GaHo4Ga4Pt4 cuboctahedra that share edges with two equivalent HoGa12 cuboctahedra and faces with two equivalent GaHo4Ga4Pt4 cuboctahedra. All Ga–Ga bond lengths are 2.73 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four Ho, one Pt, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.51–2.69 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to four Ho, two equivalent Pt, and four Ga atoms.

36 MATERIALS SCIENCE↗

Materials Data on HoGaPt by Materials Project

HoPtGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho is bonded in a 1-coordinate geometry to six equivalent Pt and six equivalent Ga atoms. There are a spread of Ho–Pt bond distances ranging from 2.92–3.39 Å. There are a spread of Ho–Ga bond distances ranging from 3.10–3.19 Å. Pt is bonded in a 10-coordinate geometry to six equivalent Ho and four equivalent Ga atoms. There are three shorter (2.60 Å) and one longer (2.74 Å) Pt–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to six equivalent Ho and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗

Materials Data on Ho4Ga12Pt by Materials Project

Ho4PtGa12 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Ho is bonded to twelve Ga atoms to form HoGa12 cuboctahedra that share corners with twelve equivalent HoGa12 cuboctahedra, edges with twelve equivalent GaHo4Ga8 cuboctahedra, faces with six equivalent HoGa12 cuboctahedra, faces with six equivalent GaHo4Ga8 cuboctahedra, and faces with two equivalent PtGa6 octahedra. There are six shorter (3.05 Å) and six longer (3.08 Å) Ho–Ga bond lengths. Pt is bonded to six equivalent Ga atoms to form PtGa6 octahedra that share corners with twenty-four equivalent GaHo4Ga8 cuboctahedra and faces with eight equivalent HoGa12 cuboctahedra. All Pt–Ga bond lengths are 2.56 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent Ho, 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 Ho and eight Ga atoms to form distorted GaHo4Ga8 cuboctahedra that share corners with four equivalent GaHo4Ga8 cuboctahedra, corners with four equivalent PtGa6 octahedra, edges with eight equivalent HoGa12 cuboctahedra, edges with eight equivalent GaHo4Ga8 cuboctahedra, faces with four equivalent HoGa12 cuboctahedra, and faces with six equivalent GaHo4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 51°. All Ga–Ga bond lengths are 3.05 Å.

36 MATERIALS SCIENCE↗