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Materials Data on VPt8 by Materials Project

Pt8V crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. V5+ is bonded to twelve Pt+0.62- atoms to form VPt12 cuboctahedra that share corners with eight equivalent PtV2Pt10 cuboctahedra, faces with two equivalent VPt12 cuboctahedra, and faces with twelve equivalent PtV2Pt10 cuboctahedra. There are eight shorter (2.74 Å) and four longer (2.75 Å) V–Pt bond lengths. There are two inequivalent Pt+0.62- sites. In the first Pt+0.62- site, Pt+0.62- is bonded to two equivalent V5+ and ten Pt+0.62- atoms to form distorted PtV2Pt10 cuboctahedra that share corners with two equivalent VPt12 cuboctahedra, corners with four equivalent PtV2Pt10 cuboctahedra, edges with twelve equivalent PtV2Pt10 cuboctahedra, faces with three equivalent VPt12 cuboctahedra, and faces with seven equivalent PtV2Pt10 cuboctahedra. There are a spread of Pt–Pt bond distances ranging from 2.70–2.89 Å. In the second Pt+0.62- site, Pt+0.62- is bonded in a distorted single-bond geometry to one V5+ and six equivalent Pt+0.62- atoms.

36 MATERIALS SCIENCE↗

Materials Data on VPt by Materials Project

PtV is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. V2+ is bonded to eight equivalent Pt2- atoms to form distorted VPt8 hexagonal bipyramids that share corners with sixteen equivalent PtV8Pt4 cuboctahedra, corners with eight equivalent VPt8 hexagonal bipyramids, edges with eight equivalent PtV8Pt4 cuboctahedra, edges with twelve equivalent VPt8 hexagonal bipyramids, and faces with six equivalent VPt8 hexagonal bipyramids. All V–Pt bond lengths are 2.74 Å. Pt2- is bonded to eight equivalent V2+ and four equivalent Pt2- atoms to form distorted PtV8Pt4 cuboctahedra that share corners with twelve equivalent PtV8Pt4 cuboctahedra, corners with sixteen equivalent VPt8 hexagonal bipyramids, edges with eight equivalent PtV8Pt4 cuboctahedra, edges with eight equivalent VPt8 hexagonal bipyramids, and faces with ten equivalent PtV8Pt4 cuboctahedra. All Pt–Pt bond lengths are 2.70 Å.

36 MATERIALS SCIENCE↗