Materials Data on Y2WO6 by Materials Project

Abstract

Y2WO6 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.36 Å) and four longer (2.38 Å) Y–O bond lengths. In the second Y3+ site, Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are two shorter (2.25 Å) and four longer (2.38 Å) Y–O bond lengths. W6+ is bonded in a distorted pentagonal pyramidal geometry to six O2- atoms. There is two shorter (1.88 Å) and four longer (2.03 Å) W–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three Y3+ and one W6+ atom to form a mixture of corner and edge-sharing OY3W tetrahedra. In the second O2- site, O2- is bonded in a water-like geometry to one Y3+ and one W6+ atom.