Materials Data on U(CuP)2 by Materials Project

Abstract

UCu2P2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. U4+ is bonded to six equivalent P3- atoms to form UP6 octahedra that share corners with twelve equivalent CuP4 tetrahedra, edges with six equivalent UP6 octahedra, and edges with six equivalent CuP4 tetrahedra. All U–P bond lengths are 2.77 Å. Cu1+ is bonded to four equivalent P3- atoms to form CuP4 tetrahedra that share corners with six equivalent UP6 octahedra, corners with six equivalent CuP4 tetrahedra, edges with three equivalent UP6 octahedra, and edges with three equivalent CuP4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–54°. There are three shorter (2.35 Å) and one longer (2.40 Å) Cu–P bond lengths. P3- is bonded to three equivalent U4+ and four equivalent Cu1+ atoms to form a mixture of distorted edge and corner-sharing PU3Cu4 pentagonal bipyramids.