Pb5P3O13 crystallizes in the hexagonal P6_3/m space group. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(4), and four equivalent O(3) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded to six equivalent Pb(2) atoms to form distorted face-sharing OPb6 octahedra. In the second O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(1) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to one Pb(2), two equivalent Pb(1), and one P(1) atom. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Pb(2) and one P(1) atom.
Pb5P3O13 crystallizes in the hexagonal P6_3/m space group. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. All Pb(1)-O(1) bond lengths are 2.52 Å. All Pb(1)-O(2) bond lengths are 2.75 Å. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(4), and four equivalent O(3) atoms. The Pb(2)-O(2) bond length is 2.47 Å. Both Pb(2)-O(4) bond lengths are 2.88 Å. There are two shorter (2.56 Å) and two longer (2.70 Å) Pb(2)-O(3) bond lengths. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. The P(1)-O(1) bond length is 1.55 Å. The P(1)-O(2) bond length is 1.56 Å. Both P(1)-O(3) bond lengths are 1.56 Å. There are four inequivalent O sites. In the first O site, O(4) is bonded to six equivalent Pb(2) atoms to form distorted face-sharing OPb6 octahedra. In the second O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(1) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to one Pb(2), two equivalent Pb(1), and one P(1) atom. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Pb(2) and one P(1) atom.