Materials Data on YN3O14 by Materials Project

Abstract

YN3O14 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one YN3O14 cluster. Y is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Y–O bond distances ranging from 2.32–2.61 Å. There are three inequivalent N sites. In the first 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. 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 1.22–1.30 Å. In the third N site, N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.23 Å) and two longer (1.28 Å) N–O bond length. There are fourteen inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Y and one O atom. The O–O bond length is 2.07 Å. In the second O site, O is bonded in a distorted water-like geometry to two O atoms. The O–O bond length is 2.02 Å. In the third O site, O is bonded in a distorted single-bond geometry to one Y and one N atom. In the fourth O site, O is bonded in a distorted single-bond geometry to one Y and one N atom. In the fifth O site, O is bonded in a single-bond geometry to one N atom. In the sixth O site, O is bonded in a distorted water-like geometry to one Y and one N atom. In the seventh O site, O is bonded in a distorted L-shaped geometry to one Y and one N atom. In the eighth O site, O is bonded in a single-bond geometry to one N atom. In the ninth O site, O is bonded in a distorted single-bond geometry to one Y and one N atom. In the tenth O site, O is bonded in a distorted water-like geometry to one Y and one N atom. In the eleventh O site, O is bonded in a single-bond geometry to one N atom. In the twelfth O site, O is bonded in a single-bond geometry to one Y atom. In the thirteenth O site, O is bonded in a single-bond geometry to one Y and one O atom. In the fourteenth O site, O is bonded in a single-bond geometry to one Y atom.