Pb10As3P3(O12Cl)2 crystallizes in the hexagonal P-6 space group. There are four inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(5) atoms. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(6) atoms. In the third Pb site, Pb(3) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(3), two equivalent O(4), and two equivalent Cl(1) atoms. In the fourth Pb site, Pb(4) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(4), and two equivalent Cl(1) atoms. As(1) is bonded in a tetrahedral geometry to one O(2), one O(6), and two equivalent O(4) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(5), and two equivalent O(3) atoms. There are six inequivalent O sites. In the first O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(1) atom. In the second O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Pb(2) and one As(1) atom. In the third O site, O(1) is bonded in a distorted single-bond geometry to one Pb(3), two equivalent Pb(2), and one P(1) atom. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Pb(4), two equivalent Pb(1), and one As(1) atom. In the fifth O site, O(3) is bonded in a single-bond geometry to one Pb(3), one Pb(4), and one P(1) atom. In the sixth O site, O(4) is bonded in a distorted single-bond geometry to one Pb(3), one Pb(4), and one As(1) atom. Cl(1) is bonded to three equivalent Pb(3) and three equivalent Pb(4) atoms to form face-sharing ClPb6 octahedra.
Pb10As3P3(O12Cl)2 crystallizes in the hexagonal P-6 space group. There are four inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(5) atoms. All Pb(1)-O(2) bond lengths are 2.73 Å. All Pb(1)-O(5) bond lengths are 2.63 Å. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(6) atoms. All Pb(2)-O(1) bond lengths are 2.73 Å. All Pb(2)-O(6) bond lengths are 2.57 Å. In the third Pb site, Pb(3) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(3), two equivalent O(4), and two equivalent Cl(1) atoms. The Pb(3)-O(1) bond length is 2.42 Å. Both Pb(3)-O(3) bond lengths are 2.65 Å. Both Pb(3)-O(4) bond lengths are 2.62 Å. Both Pb(3)-Cl(1) bond lengths are 3.19 Å. In the fourth Pb site, Pb(4) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(4), and two equivalent Cl(1) atoms. The Pb(4)-O(2) bond length is 2.39 Å. Both Pb(4)-O(3) bond lengths are 2.71 Å. Both Pb(4)-O(4) bond lengths are 2.64 Å. Both Pb(4)-Cl(1) bond lengths are 3.17 Å. As(1) is bonded in a tetrahedral geometry to one O(2), one O(6), and two equivalent O(4) atoms. The As(1)-O(2) bond length is 1.74 Å. The As(1)-O(6) bond length is 1.72 Å. Both As(1)-O(4) bond lengths are 1.72 Å. P(1) is bonded in a tetrahedral geometry to one O(1), one O(5), and two equivalent O(3) atoms. The P(1)-O(1) bond length is 1.58 Å. The P(1)-O(5) bond length is 1.55 Å. Both P(1)-O(3) bond lengths are 1.56 Å. There are six inequivalent O sites. In the first O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(1) atom. In the second O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Pb(2) and one As(1) atom. In the third O site, O(1) is bonded in a distorted single-bond geometry to one Pb(3), two equivalent Pb(2), and one P(1) atom. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Pb(4), two equivalent Pb(1), and one As(1) atom. In the fifth O site, O(3) is bonded in a single-bond geometry to one Pb(3), one Pb(4), and one P(1) atom. In the sixth O site, O(4) is bonded in a distorted single-bond geometry to one Pb(3), one Pb(4), and one As(1) atom. Cl(1) is bonded to three equivalent Pb(3) and three equivalent Pb(4) atoms to form face-sharing ClPb6 octahedra.