Materials Data on LaO3 by Materials Project

Abstract

LaO3 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one LaO3 sheet oriented in the (0, 0, 1) direction. there are two inequivalent La sites. In the first La site, La is bonded in a 1-coordinate geometry to seven O atoms. There are a spread of La–O bond distances ranging from 1.80–3.24 Å. In the second La site, La is bonded in a 1-coordinate geometry to seven O atoms. There are a spread of La–O bond distances ranging from 1.82–3.24 Å. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one La atom. In the second O site, O is bonded in a 1-coordinate geometry to four La and one O atom. The O–O bond length is 1.65 Å. In the third O site, O is bonded in a distorted T-shaped geometry to two equivalent La and one O atom. The O–O bond length is 1.65 Å. In the fourth O site, O is bonded in a 1-coordinate geometry to four La and one O atom. In the fifth O site, O is bonded in a single-bond geometry to one La atom. In the sixth O site, O is bonded in a distorted T-shaped geometry to two equivalent La and one O atom.