DOI: 10.17188/1281503
title: Materials Data on Ag2Pb8Cl4O7 by Materials Project

description: Ag2Pb8O7Cl4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to four Cl1- atoms to form distorted edge-sharing AgCl4 trigonal pyramids. There are a spread of Ag–Cl bond distances ranging from 2.50–2.75 Å. In the second Ag1+ site, Ag1+ is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of Ag–Cl bond distances ranging from 2.50–2.72 Å. There are eight inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to three O2- atoms. There are two shorter (2.31 Å) and one longer (2.32 Å) Pb–O bond lengths. In the second Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (2.26 Å) and two longer (2.30 Å) Pb–O bond lengths. In the third Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.27–2.55 Å. In the fourth Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to three O2- and two Cl1- atoms. There are a spread of Pb–O bond distances ranging from 2.28–2.40 Å. There are one shorter (3.18 Å) and one longer (3.20 Å) Pb–Cl bond lengths. In the fifth Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.39–2.51 Å. In the sixth Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.29–2.51 Å. In the seventh Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.39–2.47 Å. In the eighth Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.26–2.31 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of distorted corner and edge-sharing OPb4 trigonal pyramids. In the second O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the third O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of distorted corner and edge-sharing OPb4 tetrahedra. In the fourth O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the fifth O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of distorted corner and edge-sharing OPb4 tetrahedra. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to four Pb2+ atoms. In the seventh O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of distorted corner and edge-sharing OPb4 trigonal pyramids. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Ag1+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Ag1+ and one Pb2+ atom. In the third Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Ag1+ atoms. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Ag1+ and one Pb2+ atom.