Materials Data on LaSe2O9 by Materials Project

Abstract

LaSe2O9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of La–O bond distances ranging from 2.39–2.77 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded in a trigonal non-coplanar geometry to three O atoms. There are a spread of Se–O bond distances ranging from 1.66–1.73 Å. In the second Se site, Se is bonded in a tetrahedral geometry to four O atoms. There are a spread of Se–O bond distances ranging from 1.67–1.69 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one La and one Se atom. In the second O site, O is bonded in a single-bond geometry to one Se atom. In the third O site, O is bonded in a single-bond geometry to one La atom. In the fourth O site, O is bonded in a single-bond geometry to one Se 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 2-coordinate geometry to two equivalent La and one Se atom. In the seventh O site, O is bonded in a distorted trigonal planar geometry to two equivalent La and one Se atom. In the eighth O site, O is bonded in a distorted bent 150 degrees geometry to one La and one Se atom. In the ninth O site, O is bonded in a distorted bent 150 degrees geometry to one La and one Se atom.