Materials Data on YbMoO5 by Materials Project

Abstract

YbMoO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Yb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Yb–O bond distances ranging from 2.29–2.56 Å. Mo is bonded in a distorted tetrahedral geometry to five O atoms. There are a spread of Mo–O bond distances ranging from 1.76–2.38 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent Yb, one Mo, and one O atom. The O–O bond length is 2.00 Å. In the second O site, O is bonded in a distorted trigonal planar geometry to two equivalent Yb and one Mo atom. In the third O site, O is bonded in a distorted trigonal planar geometry to two equivalent Yb and one Mo atom. In the fourth O site, O is bonded in a linear geometry to one Yb and one Mo atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Yb and one Mo atom.