Li2PbO3 crystallizes in the monoclinic C2/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), one Pb(1), and one Pb(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Pb(2), and two equivalent Pb(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one Pb(1), and one Pb(2) atom.
Li2PbO3 crystallizes in the monoclinic C2/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. The Li(1)-O(2) bond length is 1.99 Å. The Li(1)-O(3) bond length is 2.02 Å. There is one shorter (2.06 Å) and one longer (2.12 Å) Li(1)-O(1) bond length. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Both Li(2)-O(1) bond lengths are 2.16 Å. Both Li(2)-O(2) bond lengths are 2.10 Å. Both Li(2)-O(3) bond lengths are 2.43 Å. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. Both Li(3)-O(1) bond lengths are 2.20 Å. Both Li(3)-O(3) bond lengths are 1.94 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Both Pb(1)-O(1) bond lengths are 2.38 Å. Both Pb(1)-O(3) bond lengths are 2.25 Å. There are two shorter (2.30 Å) and two longer (2.63 Å) Pb(1)-O(2) bond lengths. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Both Pb(2)-O(1) bond lengths are 2.14 Å. Both Pb(2)-O(2) bond lengths are 2.16 Å. Both Pb(2)-O(3) bond lengths are 2.31 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), one Pb(1), and one Pb(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Pb(2), and two equivalent Pb(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one Pb(1), and one Pb(2) atom.