Materials Data on EuCu4P3 by Materials Project

Abstract

EuCu4P3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Eu3+ is bonded to eight equivalent P3- atoms to form EuP8 hexagonal bipyramids that share corners with sixteen equivalent CuP4 tetrahedra, edges with four equivalent EuP8 hexagonal bipyramids, edges with eight equivalent CuP4 tetrahedra, and faces with four equivalent EuP8 hexagonal bipyramids. All Eu–P bond lengths are 3.07 Å. Cu+1.50+ is bonded to four P3- atoms to form CuP4 tetrahedra that share corners with four equivalent EuP8 hexagonal bipyramids, corners with ten equivalent CuP4 tetrahedra, edges with two equivalent EuP8 hexagonal bipyramids, and edges with five equivalent CuP4 tetrahedra. There are two shorter (2.39 Å) and two longer (2.40 Å) Cu–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a body-centered cubic geometry to eight equivalent Cu+1.50+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to four equivalent Eu3+, four equivalent Cu+1.50+, and one P3- atom. The P–P bond length is 2.28 Å.