Materials Data on LaCl3O7 by Materials Project

Abstract

LaO7Cl3 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one LaO7Cl3 sheet oriented in the (1, 0, 0) direction. La is bonded in a 8-coordinate geometry to seven O and one Cl atom. There are a spread of La–O bond distances ranging from 2.17–3.00 Å. The La–Cl bond length is 3.16 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one La and one Cl atom. The O–Cl bond length is 1.54 Å. In the second O site, O is bonded in a distorted L-shaped geometry to one La and one O atom. The O–O bond length is 1.27 Å. In the third O site, O is bonded in a 2-coordinate geometry to one La and one O atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to one La and one O atom. The O–O bond length is 1.26 Å. In the fifth O site, O is bonded in a bent 150 degrees geometry to one La and one Cl atom. The O–Cl bond length is 1.55 Å. In the sixth O site, O is bonded in a bent 120 degrees geometry to one La and one Cl atom. The O–Cl bond length is 1.66 Å. In the seventh O site, O is bonded in a distorted linear geometry to one La and one Cl atom. The O–Cl bond length is 1.66 Å. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one O atom. In the second Cl site, Cl is bonded in a distorted single-bond geometry to one La and one O atom. In the third Cl site, Cl is bonded in a bent 120 degrees geometry to two O atoms.