Materials Data on Er(PO5)2 by Materials Project

Abstract

Er(PO5)2 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. Er is bonded in a 8-coordinate geometry to eight O atoms. There are four shorter (2.22 Å) and four longer (2.42 Å) Er–O bond lengths. P is bonded to four O atoms to form edge-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.49–1.65 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted L-shaped geometry to one Er and one O atom. The O–O bond length is 1.29 Å. In the second O site, O is bonded in an L-shaped geometry to two equivalent P atoms. In the third O site, O is bonded in a bent 150 degrees geometry to one Er and one P atom. In the fourth O site, O is bonded in a linear geometry to one Er and one P atom. In the fifth O site, O is bonded in a distorted L-shaped geometry to one Er and one O atom.