Pb3O2Cl4F crystallizes in the triclinic P-1 space group. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to one O(2), one Cl(1), one Cl(2), one Cl(3), one Cl(4), and one F(1) atom. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to two equivalent O(1), one Cl(1), one Cl(2), one Cl(4), and one F(1) atom. In the third Pb site, Pb(3) is bonded in a 5-coordinate geometry to one O(1), one Cl(1), one Cl(3), and two equivalent F(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Pb(3) and two equivalent Pb(2) atoms. In the second O site, O(2) is bonded in a single-bond geometry to one Pb(1) and one Cl(2) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a trigonal non-coplanar geometry to one Pb(1), one Pb(2), and one Pb(3) atom. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to one Pb(1), one Pb(2), and one O(2) atom. In the third Cl site, Cl(3) is bonded in a water-like geometry to one Pb(1) and one Pb(3) atom. In the fourth Cl site, Cl(4) is bonded in a distorted water-like geometry to one Pb(1) and one Pb(2) atom. F(1) is bonded to one Pb(1), one Pb(2), and two equivalent Pb(3) atoms to form distorted edge-sharing FPb4 tetrahedra.
Pb3O2Cl4F crystallizes in the triclinic P-1 space group. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to one O(2), one Cl(1), one Cl(2), one Cl(3), one Cl(4), and one F(1) atom. The Pb(1)-O(2) bond length is 2.37 Å. The Pb(1)-Cl(1) bond length is 2.87 Å. The Pb(1)-Cl(2) bond length is 3.04 Å. The Pb(1)-Cl(3) bond length is 2.83 Å. The Pb(1)-Cl(4) bond length is 2.97 Å. The Pb(1)-F(1) bond length is 2.75 Å. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to two equivalent O(1), one Cl(1), one Cl(2), one Cl(4), and one F(1) atom. There is one shorter (2.18 Å) and one longer (2.23 Å) Pb(2)-O(1) bond length. The Pb(2)-Cl(1) bond length is 2.92 Å. The Pb(2)-Cl(2) bond length is 3.04 Å. The Pb(2)-Cl(4) bond length is 3.02 Å. The Pb(2)-F(1) bond length is 2.50 Å. In the third Pb site, Pb(3) is bonded in a 5-coordinate geometry to one O(1), one Cl(1), one Cl(3), and two equivalent F(1) atoms. The Pb(3)-O(1) bond length is 2.31 Å. The Pb(3)-Cl(1) bond length is 3.03 Å. The Pb(3)-Cl(3) bond length is 2.87 Å. There is one shorter (2.53 Å) and one longer (2.58 Å) Pb(3)-F(1) bond length. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Pb(3) and two equivalent Pb(2) atoms. In the second O site, O(2) is bonded in a single-bond geometry to one Pb(1) and one Cl(2) atom. The O(2)-Cl(2) bond length is 2.45 Å. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a trigonal non-coplanar geometry to one Pb(1), one Pb(2), and one Pb(3) atom. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to one Pb(1), one Pb(2), and one O(2) atom. In the third Cl site, Cl(3) is bonded in a water-like geometry to one Pb(1) and one Pb(3) atom. In the fourth Cl site, Cl(4) is bonded in a distorted water-like geometry to one Pb(1) and one Pb(2) atom. F(1) is bonded to one Pb(1), one Pb(2), and two equivalent Pb(3) atoms to form distorted edge-sharing FPb4 tetrahedra.