Materials Data on UCuP2 by Materials Project

Abstract

UCuP2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U4+ is bonded in a 8-coordinate geometry to eight P3- atoms. There are four shorter (2.77 Å) and four longer (2.88 Å) U–P bond lengths. Cu2+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing CuP4 tetrahedra. All Cu–P bond lengths are 2.42 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 4-coordinate geometry to four equivalent U4+ and four equivalent P3- atoms. All P–P bond lengths are 2.67 Å. In the second P3- site, P3- is bonded in a 8-coordinate geometry to four equivalent U4+ and four equivalent Cu2+ atoms.