Materials Data on ErCuP2 by Materials Project

Abstract

ErCuP2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er3+ is bonded in a 8-coordinate geometry to eight P2- atoms. There are a spread of Er–P bond distances ranging from 2.82–2.99 Å. Cu1+ is bonded to four equivalent P2- atoms to form a mixture of edge and corner-sharing CuP4 tetrahedra. There are a spread of Cu–P bond distances ranging from 2.40–2.42 Å. There are two inequivalent P2- sites. In the first P2- site, P2- is bonded in a 6-coordinate geometry to four equivalent Er3+ and two equivalent P2- atoms. Both P–P bond lengths are 2.37 Å. In the second P2- site, P2- is bonded in a 8-coordinate geometry to four equivalent Er3+ and four equivalent Cu1+ atoms.