Materials Data on YbH2ClO2 by Materials Project

Abstract

YbH2O2Cl crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two YbH2O2Cl sheets oriented in the (0, 0, 1) direction. Yb3+ is bonded in a 6-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are a spread of Yb–O bond distances ranging from 2.31–2.53 Å. Both Yb–Cl bond lengths are 2.95 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to three equivalent Yb3+, one H1+, and one Cl1- atom. The O–Cl bond length is 2.43 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Yb3+ and one H1+ atom. Cl1- is bonded in a 3-coordinate geometry to two equivalent Yb3+ and one O2- atom.