Materials Data on Y2N6O25 by Materials Project

Abstract

Y(N2O7)2YN2O11 crystallizes in the orthorhombic C222_1 space group. The structure is zero-dimensional and consists of four Y(N2O7)2 clusters and four YN2O11 clusters. In each Y(N2O7)2 cluster, Y is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Y–O bond distances ranging from 2.35–2.57 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 is one shorter (1.23 Å) and two longer (1.28 Å) N–O bond length. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.21 Å) and two longer (1.30 Å) N–O bond length. In the third 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 1.24–1.28 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted L-shaped geometry to one Y and one N atom. In the second O site, O is bonded in a single-bond geometry to one N atom. In the third O site, O is bonded in a single-bond geometry to one Y 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 single-bond geometry to one Y and one N atom. In the seventh O site, O is bonded in a distorted water-like 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 each YN2O11 cluster, Y is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Y–O bond distances ranging from 2.28–2.54 Å. N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.22–1.29 Å. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one N atom. In the second O site, O is bonded in a single-bond geometry to one Y atom. In the third O site, O is bonded in a single-bond geometry to one Y atom. In the fourth O site, O is bonded in a single-bond geometry to one Y atom. In the fifth O site, O is bonded in a distorted L-shaped geometry to one Y and one N atom. In the sixth O site, O is bonded in a distorted water-like geometry to one Y and one N atom.