Materials Data on LaBr3O7 by Materials Project

Abstract

LaO7Br3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. La is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of La–O bond distances ranging from 2.31–2.63 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one La and one Br atom. The O–Br bond length is 1.76 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one La and one Br atom. The O–Br bond length is 1.74 Å. In the third O site, O is bonded in a bent 150 degrees geometry to one La and one Br atom. The O–Br bond length is 1.68 Å. In the fourth O site, O is bonded in a bent 150 degrees geometry to one La and one Br atom. The O–Br bond length is 1.70 Å. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one La and one Br atom. The O–Br bond length is 1.77 Å. In the sixth O site, O is bonded in a bent 150 degrees geometry to one La and one Br atom. The O–Br bond length is 1.69 Å. In the seventh O site, O is bonded in a bent 150 degrees geometry to one La and one Br atom. The O–Br bond length is 1.75 Å. There are three inequivalent Br sites. In the first Br site, Br is bonded in a trigonal non-coplanar geometry to three O atoms. In the second Br site, Br is bonded in a water-like geometry to two O atoms. In the third Br site, Br is bonded in a water-like geometry to two O atoms.