Materials Data on YbMoClO4 by Materials Project

Abstract

YbMoO4Cl crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Yb3+ is bonded in a 6-coordinate geometry to six O2- and one Cl1- atom. There are a spread of Yb–O bond distances ranging from 2.26–2.53 Å. The Yb–Cl bond length is 3.13 Å. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.78–1.81 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Yb3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Yb3+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a linear geometry to one Yb3+ and one Mo6+ atom. Cl1- is bonded in a 2-coordinate geometry to one Yb3+ and one Cl1- atom. The Cl–Cl bond length is 1.99 Å.