Materials Data on LaN3O13 by Materials Project

LaN3O13 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of two LaN3O13 sheets oriented in the (0, 1, 0) direction. La is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of La–O bond distances ranging from 2.48–3.20 Å. There are two inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.26 Å) and two longer (1.27 Å) N–O bond length. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.23–1.29 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one La and one N atom. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one La and one N atom. In the third O site, O is bonded in a distorted single-bond geometry to one La and one N atom. In the fourth O site, O is bonded in a single-bond geometry to one N atom. In the fifth O site, O is bonded in a distorted water-like geometry to one La and one N atom. In the sixth O site, O is bonded in a distorted single-bond geometry to one La and one O atom. The O–O bond length is 1.23 Å. In the seventh O site, O is bonded in a distorted trigonal non-coplanar geometry to three O atoms. Both O–O bond lengths are 1.68 Å. In the eighth O site, O is bonded in a distorted bent 120 degrees geometry to one La and one O atom.