Materials Data on AsPPt by Materials Project

Abstract

PtAsP is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pt2- is bonded to three equivalent As3- and three equivalent P5+ atoms to form PtAs3P3 octahedra that share corners with twelve equivalent PtAs3P3 octahedra, corners with three equivalent AsPPt3 tetrahedra, and corners with three equivalent PAsPt3 tetrahedra. The corner-sharing octahedra tilt angles range from 64–65°. All Pt–As bond lengths are 2.53 Å. All Pt–P bond lengths are 2.42 Å. As3- is bonded to three equivalent Pt2- and one P5+ atom to form AsPPt3 tetrahedra that share corners with three equivalent PtAs3P3 octahedra, corners with six equivalent AsPPt3 tetrahedra, and corners with nine equivalent PAsPt3 tetrahedra. The corner-sharing octahedral tilt angles are 78°. The As–P bond length is 2.33 Å. P5+ is bonded to three equivalent Pt2- and one As3- atom to form PAsPt3 tetrahedra that share corners with three equivalent PtAs3P3 octahedra, corners with six equivalent PAsPt3 tetrahedra, and corners with nine equivalent AsPPt3 tetrahedra. The corner-sharing octahedral tilt angles are 77°.