DOI: 10.17188/1692889
title: Materials Data on LaPb8N7O33 by Materials Project

description: LaPb8N7O33 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.48–2.66 Å. There are eight inequivalent Pb+3.50+ sites. In the first Pb+3.50+ site, Pb+3.50+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.25–2.94 Å. In the second Pb+3.50+ site, Pb+3.50+ is bonded in a 7-coordinate geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.32–2.44 Å. In the third Pb+3.50+ site, Pb+3.50+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.31–2.90 Å. In the fourth Pb+3.50+ site, Pb+3.50+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.33–2.95 Å. In the fifth Pb+3.50+ site, Pb+3.50+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.29–2.93 Å. In the sixth Pb+3.50+ site, Pb+3.50+ is bonded in a 5-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.27–3.14 Å. In the seventh Pb+3.50+ site, Pb+3.50+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.27–2.92 Å. In the eighth Pb+3.50+ site, Pb+3.50+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.33–2.85 Å. There are seven inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.26 Å) and one longer (1.29 Å) N–O bond length. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.25–1.28 Å. In the third N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.25–1.30 Å. In the fourth N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.26 Å) and one longer (1.30 Å) N–O bond length. In the fifth N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.25–1.29 Å. In the sixth 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 seventh N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.26–1.28 Å. There are thirty-three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two Pb+3.50+ and one N5+ atom. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to one La3+ and two Pb+3.50+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Pb+3.50+ atoms. In the fourth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Pb+3.50+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one La3+ and two Pb+3.50+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two Pb+3.50+ and one N5+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one La3+ and two Pb+3.50+ atoms. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to three Pb+3.50+ atoms. In the ninth O2- site, O2- is bonded in a trigonal non-coplanar geometry to one La3+ and two Pb+3.50+ atoms. In the tenth O2- site, O2- is bonded in a trigonal non-coplanar geometry to one La3+ and two Pb+3.50+ atoms. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one La3+ atom. In the twelfth O2- site, O2- is bonded in a trigonal non-coplanar geometry to one La3+ and two Pb+3.50+ atoms. In the thirteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one La3+ and two Pb+3.50+ atoms. 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 distorted single-bond geometry to two Pb+3.50+ and one N5+ atom. In the sixteenth O2- site, O2- is bonded in a single-bond geometry to one Pb+3.50+ and one N5+ atom. In the seventeenth O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the eighteenth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pb+3.50+ and one N5+ atom. In the nineteenth O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the twentieth O2- site, O2- is bonded in a single-bond geometry to one Pb+3.50+ and one N5+ atom. In the twenty-first O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the twenty-second O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the twenty-third O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the twenty-fourth O2- site, O2- is bonded in a single-bond geometry to one Pb+3.50+ and one N5+ atom. In the twenty-fifth O2- site, O2- is bonded in a distorted tetrahedral geometry to one La3+ and three Pb+3.50+ atoms. In the twenty-sixth O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the twenty-seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Pb+3.50+ and one N5+ atom. In the twenty-eighth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pb+3.50+ and one N5+ atom. In the twenty-ninth O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the thirtieth O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the thirty-first O2- site, O2- is bonded in a single-bond geometry to two Pb+3.50+ and one N5+ atom. In the thirty-second O2- site, O2- is bonded in a single-bond geometry to one Pb+3.50+ and one N5+ atom. In the thirty-third O2- site, O2- is bonded in a distorted single-bond geometry to one Pb+3.50+ and one N5+ atom.