Materials Data on YCuP2 by Materials Project

Abstract

YCuP2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight P2- atoms. There are four shorter (2.86 Å) and four longer (2.93 Å) Y–P bond lengths. Cu1+ is bonded to four equivalent P2- atoms to form a mixture of edge and corner-sharing CuP4 tetrahedra. All Cu–P bond lengths are 2.40 Å. There are two inequivalent P2- sites. In the first P2- site, P2- is bonded in a 8-coordinate geometry to four equivalent Y3+ and four equivalent Cu1+ atoms. In the second P2- site, P2- is bonded in a 8-coordinate geometry to four equivalent Y3+ and four equivalent P2- atoms. All P–P bond lengths are 2.64 Å.