Materials Data on Ag13(PbO3)6 by Materials Project
Ag13(PbO3)6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twenty-six inequivalent Ag+1.08+ sites. In the first Ag+1.08+ site, Ag+1.08+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All Ag–O bond lengths are 2.32 Å. In the second Ag+1.08+ site, Ag+1.08+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are one shorter (2.24 Å) and two longer (2.33 Å) Ag–O bond lengths. In the third Ag+1.08+ site, Ag+1.08+ is bonded in a linear geometry to two O2- atoms. Both Ag–O bond lengths are 2.14 Å. In the fourth Ag+1.08+ site, Ag+1.08+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.24–2.33 Å. In the fifth Ag+1.08+ site, Ag+1.08+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are one shorter (2.24 Å) and two longer (2.33 Å) Ag–O bond lengths. In the sixth Ag+1.08+ site, Ag+1.08+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.12 Å) and one longer (2.15 Å) Ag–O bond lengths. In the seventh Ag+1.08+ site, Ag+1.08+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.13 Å) and one longer (2.14 Å) Ag–O bond lengths. In the eighth Ag+1.08+ site, Ag+1.08+ is bonded in a linear geometry to two O2- atoms. Both Ag–O bond lengths are 2.13 Å. In the ninth Ag+1.08+ site, Ag+1.08+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.14 Å) and one longer (2.15 Å) Ag–O bond lengths. In the tenth Ag+1.08+ site, Ag+1.08+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.12 Å) and one longer (2.14 Å) Ag–O bond lengths. In the eleventh Ag+1.08+ site, Ag+1.08+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There are two shorter (2.31 Å) and one longer (2.32 Å) Ag–O bond lengths. In the twelfth Ag+1.08+ site, Ag+1.08+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.24–2.34 Å. In the thirteenth Ag+1.08+ site, Ag+1.08+ is bonded in a trigonal planar geometry to three O2- atoms. All Ag–O bond lengths are 2.31 Å. In the fourteenth Ag+1.08+ site, Ag+1.08+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.13 Å) and one longer (2.14 Å) Ag–O bond lengths. In the fifteenth Ag+1.08+ site, Ag+1.08+ is bonded in a linear geometry to two O2- atoms. Both Ag–O bond lengths are 2.14 Å. In the sixteenth Ag+1.08+ site, Ag+1.08+ is bonded in a linear geometry to two O2- atoms. Both Ag–O bond lengths are 2.14 Å. In the seventeenth Ag+1.08+ site, Ag+1.08+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.14 Å) and one longer (2.15 Å) Ag–O bond lengths. In the eighteenth Ag+1.08+ site, Ag+1.08+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There are one shorter (2.30 Å) and two longer (2.31 Å) Ag–O bond lengths. In the nineteenth Ag+1.08+ site, Ag+1.08+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.24–2.32 Å. In the twentieth Ag+1.08+ site, Ag+1.08+ is bonded in a trigonal planar geometry to three O2- atoms. There are one shorter (2.24 Å) and two longer (2.33 Å) Ag–O bond lengths. In the twenty-first Ag+1.08+ site, Ag+1.08+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are one shorter (2.32 Å) and two longer (2.33 Å) Ag–O bond lengths. In the twenty-second Ag+1.08+ site, Ag+1.08+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.12 Å) and one longer (2.15 Å) Ag–O bond lengths. In the twenty-third Ag+1.08+ site, Ag+1.08+ is bonded in a linear geometry to two O2- atoms. Both Ag–O bond lengths are 2.15 Å. In the twenty-fourth Ag+1.08+ site, Ag+1.08+ is bonded in a linear geometry to two O2- atoms. Both Ag–O bond lengths are 2.13 Å. In the twenty-fifth Ag+1.08+ site, Ag+1.08+ is bonded in a linear geometry to two O2- atoms. Both Ag–O bond lengths are 2.13 Å. In the twenty-sixth Ag+1.08+ site, Ag+1.08+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.12 Å) and one longer (2.15 Å) Ag–O bond lengths. There are twelve inequivalent Pb+3.67+ sites. In the first Pb+3.67+ site, Pb+3.67+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are a spread of Pb–O bond distances ranging from 2.20–2.28 Å. In the second Pb+3.67+ site, Pb+3.67+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are a spread of Pb–O bond distances ranging from 2.22–2.29 Å. In the third Pb+3.67+ site, Pb+3.67+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are a spread of Pb–O bond distances ranging from 2.19–2.28 Å. In the fourth Pb+3.67+ site, Pb+3.67+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are a spread of Pb–O bond distances ranging from 2.20–2.27 Å. In the fifth Pb+3.67+ site, Pb+3.67+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are a spread of Pb–O bond distances ranging from 2.19–2.28 Å. In the sixth Pb+3.67+ site, Pb+3.67+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are a spread of Pb–O bond distances ranging from 2.19–2.28 Å. In the seventh Pb+3.67+ site, Pb+3.67+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are a spread of Pb–O bond distances ranging from 2.20–2.28 Å. In the eighth Pb+3.67+ site, Pb+3.67+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are a spread of Pb–O bond distances ranging from 2.21–2.28 Å. In the ninth Pb+3.67+ site, Pb+3.67+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are a spread of Pb–O bond distances ranging from 2.19–2.28 Å. In the tenth Pb+3.67+ site, Pb+3.67+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are a spread of Pb–O bond distances ranging from 2.22–2.28 Å. In the eleventh Pb+3.67+ site, Pb+3.67+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are a spread of Pb–O bond distances ranging from 2.18–2.28 Å. In the twelfth Pb+3.67+ site, Pb+3.67+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are a spread of Pb–O bond distances ranging from 2.19–2.28 Å. There are thirty-six inequivalent O2- sites. In the first O2- site, O2- is bonded to two Ag+1.08+ and two Pb+3.67+ atoms to form a mixture of edge and corner-sharing OAg2Pb2 tetrahedra. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Ag+1.08+ and two Pb+3.67+ atoms. In the third O2- site, O2- is bonded to two Ag+1.08+ and two Pb+3.67+ atoms to form corner-sharing OAg2Pb2 tetrahedra. In the fourth O2- site, O2- is bonded to two Ag+1.08+ and two Pb+3.67+ atoms to form a mixture of edge and corner-sharing OAg2Pb2 tetrahedra. In the fifth O2- site, O2- is bonded to two Ag+1.08+ and two Pb+3.67+ atoms to form corner-sharing OAg2Pb2 tetrahedra. In the sixth O2- site, O2- is bonded to two Ag+1.08+ and two Pb+3.67+ atoms to form a mixture of edge and corner-sharing OAg2Pb2 tetrahedra. In the seventh O2- site, O2- is bonded to two Ag+1.08+ and two Pb+3.67+ atoms to form corner-sharing OAg2Pb2 tetrahedra. In the eighth O2- site, O2- is bonded to two Ag+1.08+ and two Pb+3.67+ atoms to form a mixture of edge and corner-sharing OAg2Pb2 tetrahedra. In the ninth O2- site, O2- is bonded to two Ag+1.08+ and two Pb+3.67+ atoms to form a mixture of edge and corner-sharing OAg2Pb2 tetrahedra. In the tenth O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Ag+1.08+ and two Pb+3.67+ atoms. In the eleventh O2- site, O2- is bonded to two Ag+1.08+ and two Pb+3.67+ atoms to form a mixture of edge and corner-sharing OAg2Pb2 tetrahedra. In the twelfth O2- site, O2- is bonded to two Ag+1.08+ and two Pb+3.67+ atoms to form a mixture of edge and corner-sharing OAg2Pb2 tetrahedra. In the thirteenth O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Ag+1.08+ and two Pb+3.67+ atoms. In the fourteenth O2- site, O2- is bonded to two Ag+1.08+ and two Pb+3.67+ atoms to form corner-sharing OAg2Pb2 tetrahedra. In the fifteenth O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Ag+1.08+ and two Pb+3.67+ atoms. In the sixteenth O2- site, O2- is bonded to two Ag+1.08+ and two Pb+3.67+ atoms to form corner-sharing OAg2Pb2 tetrahedra. In the seventeenth O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Ag+1.08+ and two Pb+3.67+ atoms. In the eighteenth O2- site, O2- is bonded to two Ag+1.08+ and two Pb+3.67+ atoms to form a mixture of edge and corner-sharing OAg2Pb2 tetrahedra. In the nineteenth O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Ag+1.08+ and two Pb+3.67+ atoms. In the twentieth O2- site, O2- is bonded to two Ag+1.08+ and two Pb+3.67+ atoms to form corner-sharing OAg2Pb2 tetrahedra. In the twenty-first O2- site, O2- is bonded to two Ag+1.08+ and two Pb+3.67+ atoms to form a mixture of edge and corner-sharing OAg2Pb2 tetrahedra. In the twenty-second O2- site, O2- is bonded to two Ag+1.08+ and two Pb+3.67+ atoms to form a mixture of edge and corner-sharing OAg2Pb2 tetrahedra. In the twenty-third O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Ag+1.08+ and two Pb+3.67+ atoms. In the twenty-fourth O2- site, O2- is bonded to two Ag+1.08+ and two Pb+3.67+ atoms to form corner-sharing OAg2Pb2 tetrahedra. In the twenty-fifth O2- site, O2- is bonded to two Ag+1.08+ and two Pb+3.67+ atoms to form a mixture of edge and corner-sharing OAg2Pb2 tetrahedra. In the twenty-sixth O2- site, O2- is bonded to two Ag+1.08+ and two Pb+3.67+ atoms to form a mixture of edge and corner-sharing OAg2Pb2 tetrahedra. In the twenty-seventh O2- site, O2- is bonded to two Ag+1.08+ and two Pb+3.67+ atoms to form a mixture of edge and corner-sharing OAg2Pb2 tetrahedra. In the twenty-eighth O2- site, O2- is bonded to two Ag+1.08+ and two Pb+3.67+ atoms to form a mixture of edge and corner-sharing OAg2Pb2 tetrahedra. In the twenty-ninth O2- site, O2- is bonded to two Ag+1.08+ and two Pb+3.67+ atoms to form a mixture of edge and corner-sharing OAg2Pb2 tetrahedra. In the thirtieth O2- site, O2- is bonded to two Ag+1.08+ and two Pb+3.67+ atoms to form a mixture of edge and corner-sharing OAg2Pb2 tetrahedra. In the thirty-first O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Ag+1.08+ and two Pb+3.67+ atoms. In the thirty-second O2- site, O2- is bonded to two Ag+1.08+ and two Pb+3.67+ atoms to form a mixture of edge and corner-sharing OAg2Pb2 tetrahedra. In the thirty-third O2- site, O2- is bonded to two Ag+1.08+ and two Pb+3.67+ atoms to form a mixture of edge and corner-sharing OAg2Pb2 tetrahedra. In the thirty-fourth O2- site, O2- is bonded to two Ag+1.08+ and two Pb+3.67+ atoms to form corner-sharing OAg2Pb2 tetrahedra. In the thirty-fifth O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Ag+1.08+ and two Pb+3.67+ atoms. In the thirty-sixth O2- site, O2- is bonded to two Ag+1.08+ and two Pb+3.67+ atoms to form corner-sharing OAg2Pb2 tetrahedra.