Materials Data on SmH2ClO2 by Materials Project

Abstract

SmH2O2Cl crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two SmH2O2Cl sheets oriented in the (0, 0, 1) direction. Sm3+ is bonded in a 8-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are a spread of Sm–O bond distances ranging from 2.41–2.47 Å. Both Sm–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 0.97 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 distorted single-bond geometry to three equivalent Sm3+ and one H1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Sm3+ and one H1+ atom. Cl1- is bonded in a distorted L-shaped geometry to two equivalent Sm3+ atoms.