Pb3O2Cl4F crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 8-coordinate geometry to one O(2), one Cl(1), one Cl(3), two equivalent Cl(2), two equivalent Cl(4), and one F(1) atom. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to one O(2), two equivalent O(1), one Cl(2), two equivalent Cl(1), and one F(1) atom. In the third Pb site, Pb(3) is bonded in a 3-coordinate geometry to one O(1), one Cl(1), one Cl(2), one Cl(3), and two equivalent F(1) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Pb(1), one Pb(2), and one Cl(2) atom. In the second O site, O(1) is bonded in a trigonal non-coplanar geometry to one Pb(3) and two equivalent Pb(2) atoms. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to one Pb(1), one Pb(3), and two equivalent Pb(2) atoms. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to one Pb(2), one Pb(3), two equivalent Pb(1), and one O(2) atom. In the third Cl site, Cl(3) is bonded in a distorted water-like geometry to one Pb(1) and one Pb(3) atom. In the fourth Cl site, Cl(4) is bonded in a 1-coordinate geometry to two equivalent Pb(1) atoms. F(1) is bonded to one Pb(1), one Pb(2), and two equivalent Pb(3) atoms to form edge-sharing FPb4 tetrahedra.
Pb3O2Cl4F crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 8-coordinate geometry to one O(2), one Cl(1), one Cl(3), two equivalent Cl(2), two equivalent Cl(4), and one F(1) atom. The Pb(1)-O(2) bond length is 2.54 Å. The Pb(1)-Cl(1) bond length is 2.83 Å. The Pb(1)-Cl(3) bond length is 2.81 Å. There is one shorter (3.07 Å) and one longer (3.08 Å) Pb(1)-Cl(2) bond length. There is one shorter (3.05 Å) and one longer (3.11 Å) Pb(1)-Cl(4) bond length. The Pb(1)-F(1) bond length is 2.70 Å. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to one O(2), two equivalent O(1), one Cl(2), two equivalent Cl(1), and one F(1) atom. The Pb(2)-O(2) bond length is 2.68 Å. There is one shorter (2.30 Å) and one longer (2.31 Å) Pb(2)-O(1) bond length. The Pb(2)-Cl(2) bond length is 3.19 Å. There is one shorter (3.10 Å) and one longer (3.22 Å) Pb(2)-Cl(1) bond length. The Pb(2)-F(1) bond length is 2.58 Å. In the third Pb site, Pb(3) is bonded in a 3-coordinate geometry to one O(1), one Cl(1), one Cl(2), one Cl(3), and two equivalent F(1) atoms. The Pb(3)-O(1) bond length is 2.39 Å. The Pb(3)-Cl(1) bond length is 3.03 Å. The Pb(3)-Cl(2) bond length is 3.16 Å. The Pb(3)-Cl(3) bond length is 2.95 Å. There is one shorter (2.52 Å) and one longer (2.55 Å) Pb(3)-F(1) bond length. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Pb(1), one Pb(2), and one Cl(2) atom. The O(2)-Cl(2) bond length is 2.46 Å. In the second O site, O(1) is bonded in a trigonal non-coplanar geometry to one Pb(3) and two equivalent Pb(2) atoms. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to one Pb(1), one Pb(3), and two equivalent Pb(2) atoms. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to one Pb(2), one Pb(3), two equivalent Pb(1), and one O(2) atom. In the third Cl site, Cl(3) is bonded in a distorted water-like geometry to one Pb(1) and one Pb(3) atom. In the fourth Cl site, Cl(4) is bonded in a 1-coordinate geometry to two equivalent Pb(1) atoms. F(1) is bonded to one Pb(1), one Pb(2), and two equivalent Pb(3) atoms to form edge-sharing FPb4 tetrahedra.