Materials Data on LaClO2 by Materials Project

Abstract

LaO2Cl crystallizes in the monoclinic P2/m space group. The structure is two-dimensional and consists of one LaO2Cl sheet oriented in the (1, 0, 0) direction. La is bonded in a 6-coordinate geometry to six O and two equivalent Cl atoms. There are a spread of La–O bond distances ranging from 2.45–2.85 Å. Both La–Cl bond lengths are 2.81 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent La and one O atom. The O–O bond length is 1.49 Å. In the second O site, O is bonded in a 5-coordinate geometry to four equivalent La and one O atom. The O–O bond length is 1.51 Å. Cl is bonded in an L-shaped geometry to two equivalent La atoms.