Materials Data on Y2W2O9 by Materials Project

Abstract

Y2W2O9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Y–O bond distances ranging from 2.29–2.77 Å. In the second Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.26–2.61 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of W–O bond distances ranging from 1.84–2.16 Å. In the second W6+ site, W6+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of W–O bond distances ranging from 1.84–2.16 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one W6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Y3+ and one W6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Y3+ and one W6+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Y3+ and two W6+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two W6+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Y3+ and two W6+ atoms. In the seventh O2- site, O2- is bonded to three Y3+ and one W6+ atom to form distorted edge-sharing OY3W tetrahedra. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two Y3+ and one W6+ atom. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to two Y3+ and one W6+ atom.