Materials Data on YbP3O10 by Materials Project

Abstract

YbP3O10 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Yb is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Yb–O bond distances ranging from 2.26–2.41 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There is two shorter (1.50 Å) and two longer (1.59 Å) P–O bond length. In the second P site, P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.52–1.63 Å. There are five inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two P atoms. In the second O site, O is bonded in a distorted linear geometry to one Yb and one P atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Yb and one P atom. In the fourth O site, O is bonded in a distorted linear geometry to one Yb and one P atom. In the fifth O site, O is bonded in a single-bond geometry to one P atom.