DOI: 10.17188/1742991
title: Materials Data on Bi6N5O26 by Materials Project

description: (Bi6N3O17)2(NO3)4(O2)3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight nitric acid molecules, four trioxidane molecules, and two Bi6N3O17 clusters. In each Bi6N3O17 cluster, there are six inequivalent Bi+4.50+ sites. In the first Bi+4.50+ site, Bi+4.50+ is bonded in a 8-coordinate geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.17–2.33 Å. In the second Bi+4.50+ site, Bi+4.50+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.21–2.37 Å. In the third Bi+4.50+ site, Bi+4.50+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.21–2.36 Å. In the fourth Bi+4.50+ site, Bi+4.50+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.19–2.92 Å. In the fifth Bi+4.50+ site, Bi+4.50+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.23–2.32 Å. In the sixth Bi+4.50+ site, Bi+4.50+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.21–2.80 Å. There are three inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.26 Å) and two longer (1.27 Å) N–O bond length. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.26 Å) and two longer (1.27 Å) N–O bond length. In the third N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.25 Å) and one longer (1.29 Å) N–O bond length. There are seventeen inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Bi+4.50+ atoms. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Bi+4.50+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three Bi+4.50+ atoms. In the fourth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Bi+4.50+ atoms. In the fifth O2- site, O2- is bonded to four Bi+4.50+ atoms to form distorted edge-sharing OBi4 tetrahedra. In the sixth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Bi+4.50+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi+4.50+ atoms. In the eighth O2- site, O2- is bonded in a distorted water-like geometry to three Bi+4.50+ atoms. In the ninth O2- site, O2- is bonded in a single-bond geometry to one Bi+4.50+ and one N5+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one Bi+4.50+ and one N5+ atom. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the thirteenth O2- site, O2- is bonded in a single-bond geometry to one Bi+4.50+ and one N5+ atom. In the fourteenth O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the fifteenth O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the sixteenth O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the seventeenth O2- site, O2- is bonded in a distorted single-bond geometry to one Bi+4.50+ and one N5+ atom.