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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on GaPt3 by Materials Project

Pt3Ga is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pt+0.67- is bonded to eight equivalent Pt+0.67- and four equivalent Ga2+ atoms to form distorted PtGa4Pt8 cuboctahedra that share corners with twelve equivalent PtGa4Pt8 cuboctahedra, edges with eight equivalent GaPt12 cuboctahedra, edges with sixteen equivalent PtGa4Pt8 cuboctahedra, faces with four equivalent GaPt12 cuboctahedra, and faces with fourteen equivalent PtGa4Pt8 cuboctahedra. All Pt–Pt bond lengths are 2.79 Å. All Pt–Ga bond lengths are 2.79 Å. Ga2+ is bonded to twelve equivalent Pt+0.67- atoms to form GaPt12 cuboctahedra that share corners with twelve equivalent GaPt12 cuboctahedra, edges with twenty-four equivalent PtGa4Pt8 cuboctahedra, faces with six equivalent GaPt12 cuboctahedra, and faces with twelve equivalent PtGa4Pt8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaPt3 by Materials Project

Pt3Ga crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Pt+0.67- sites. In the first Pt+0.67- site, Pt+0.67- is bonded to eight Pt+0.67- and four equivalent Ga2+ atoms to form distorted PtGa4Pt8 cuboctahedra that share corners with twelve equivalent PtGa4Pt8 cuboctahedra, edges with eight equivalent GaPt12 cuboctahedra, faces with four equivalent GaPt12 cuboctahedra, and faces with six equivalent PtGa4Pt8 cuboctahedra. There are four shorter (2.80 Å) and four longer (2.81 Å) Pt–Pt bond lengths. All Pt–Ga bond lengths are 2.77 Å. In the second Pt+0.67- site, Pt+0.67- is bonded in a 12-coordinate geometry to eight Pt+0.67- and four equivalent Ga2+ atoms. All Pt–Pt bond lengths are 2.79 Å. There are two shorter (2.64 Å) and two longer (2.91 Å) Pt–Ga bond lengths. In the third Pt+0.67- site, Pt+0.67- is bonded in a distorted water-like geometry to four equivalent Pt+0.67- and four equivalent Ga2+ atoms. There are two shorter (2.62 Å) and two longer (3.04 Å) Pt–Ga bond lengths. Ga2+ is bonded to twelve Pt+0.67- atoms to form distorted GaPt12 cuboctahedra that share corners with twelve equivalent GaPt12 cuboctahedra, edges with eight equivalent PtGa4Pt8 cuboctahedra, faces with four equivalent PtGa4Pt8 cuboctahedra, and faces with six equivalent GaPt12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaPt3 by Materials Project

Pt3Ga crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Pt+0.67- sites. In the first Pt+0.67- site, Pt+0.67- is bonded to eight equivalent Pt+0.67- and four equivalent Ga2+ atoms to form distorted PtGa4Pt8 cuboctahedra that share corners with twelve equivalent PtGa4Pt8 cuboctahedra, edges with eight equivalent GaPt12 cuboctahedra, faces with four equivalent GaPt12 cuboctahedra, and faces with six equivalent PtGa4Pt8 cuboctahedra. All Pt–Pt bond lengths are 2.82 Å. All Pt–Ga bond lengths are 2.77 Å. In the second Pt+0.67- site, Pt+0.67- is bonded in a distorted water-like geometry to four equivalent Pt+0.67- and four equivalent Ga2+ atoms. There are two shorter (2.58 Å) and two longer (3.05 Å) Pt–Ga bond lengths. Ga2+ is bonded to twelve Pt+0.67- atoms to form distorted GaPt12 cuboctahedra that share corners with twelve equivalent GaPt12 cuboctahedra, edges with eight equivalent PtGa4Pt8 cuboctahedra, faces with four equivalent PtGa4Pt8 cuboctahedra, and faces with six equivalent GaPt12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaPt3 by Materials Project

Pt3Ga is Uranium Silicide-like structured and crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Pt+0.67- sites. In the first Pt+0.67- site, Pt+0.67- is bonded to eight Pt+0.67- and four equivalent Ga2+ atoms to form distorted PtGa4Pt8 cuboctahedra that share corners with twelve equivalent PtGa4Pt8 cuboctahedra, edges with eight equivalent GaPt12 cuboctahedra, edges with sixteen PtGa4Pt8 cuboctahedra, faces with four equivalent GaPt12 cuboctahedra, and faces with fourteen PtGa4Pt8 cuboctahedra. There are four shorter (2.79 Å) and four longer (2.80 Å) Pt–Pt bond lengths. There are two shorter (2.72 Å) and two longer (2.86 Å) Pt–Ga bond lengths. In the second Pt+0.67- site, Pt+0.67- is bonded to eight equivalent Pt+0.67- and four equivalent Ga2+ atoms to form distorted PtGa4Pt8 cuboctahedra that share corners with twelve equivalent PtGa4Pt8 cuboctahedra, edges with eight equivalent GaPt12 cuboctahedra, edges with sixteen equivalent PtGa4Pt8 cuboctahedra, faces with four equivalent GaPt12 cuboctahedra, and faces with fourteen PtGa4Pt8 cuboctahedra. All Pt–Ga bond lengths are 2.79 Å. Ga2+ is bonded to twelve Pt+0.67- atoms to form GaPt12 cuboctahedra that share corners with twelve equivalent GaPt12 cuboctahedra, edges with twenty-four PtGa4Pt8 cuboctahedra, faces with six equivalent GaPt12 cuboctahedra, and faces with twelve PtGa4Pt8 cuboctahedra.

36 MATERIALS SCIENCE↗