H2(Pb3OCl4F)2 crystallizes in the monoclinic P2_1/c space group. The structure consists of four 1333-74-0 atoms inside a Pb3OCl4F framework. In the Pb3OCl4F framework, there are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 7-coordinate geometry to one Cl(1), one Cl(2), two equivalent Cl(3), two equivalent Cl(4), and one F(1) atom. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(1), one Cl(1), one Cl(2), one Cl(4), and two equivalent F(1) atoms. In the third Pb site, Pb(3) is bonded in a 3-coordinate geometry to two equivalent O(1), one Cl(3), one Cl(4), and one F(1) atom. O(1) is bonded in a trigonal non-coplanar geometry to one Pb(2) and two equivalent Pb(3) atoms. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 2-coordinate geometry to one Pb(1) and one Pb(2) atom. In the second Cl site, Cl(2) is bonded in a distorted L-shaped geometry to one Pb(1) and one Pb(2) atom. In the third Cl site, Cl(3) is bonded in a 3-coordinate geometry to one Pb(3) and two equivalent Pb(1) atoms. In the fourth Cl site, Cl(4) is bonded in a distorted rectangular see-saw-like geometry to one Pb(2), one Pb(3), and two equivalent Pb(1) atoms. F(1) is bonded to one Pb(1), one Pb(3), and two equivalent Pb(2) atoms to form edge-sharing FPb4 tetrahedra.
H2(Pb3OCl4F)2 crystallizes in the monoclinic P2_1/c space group. The structure consists of four 1333-74-0 atoms inside a Pb3OCl4F framework. In the Pb3OCl4F framework, there are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 7-coordinate geometry to one Cl(1), one Cl(2), two equivalent Cl(3), two equivalent Cl(4), and one F(1) atom. The Pb(1)-Cl(1) bond length is 2.93 Å. The Pb(1)-Cl(2) bond length is 2.90 Å. There is one shorter (2.94 Å) and one longer (3.15 Å) Pb(1)-Cl(3) bond length. There is one shorter (2.99 Å) and one longer (3.09 Å) Pb(1)-Cl(4) bond length. The Pb(1)-F(1) bond length is 2.56 Å. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(1), one Cl(1), one Cl(2), one Cl(4), and two equivalent F(1) atoms. The Pb(2)-O(1) bond length is 2.36 Å. The Pb(2)-Cl(1) bond length is 2.97 Å. The Pb(2)-Cl(2) bond length is 2.97 Å. The Pb(2)-Cl(4) bond length is 3.09 Å. There is one shorter (2.59 Å) and one longer (2.63 Å) Pb(2)-F(1) bond length. In the third Pb site, Pb(3) is bonded in a 3-coordinate geometry to two equivalent O(1), one Cl(3), one Cl(4), and one F(1) atom. There is one shorter (2.28 Å) and one longer (2.29 Å) Pb(3)-O(1) bond length. The Pb(3)-Cl(3) bond length is 3.06 Å. The Pb(3)-Cl(4) bond length is 3.13 Å. The Pb(3)-F(1) bond length is 2.54 Å. O(1) is bonded in a trigonal non-coplanar geometry to one Pb(2) and two equivalent Pb(3) atoms. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 2-coordinate geometry to one Pb(1) and one Pb(2) atom. In the second Cl site, Cl(2) is bonded in a distorted L-shaped geometry to one Pb(1) and one Pb(2) atom. In the third Cl site, Cl(3) is bonded in a 3-coordinate geometry to one Pb(3) and two equivalent Pb(1) atoms. In the fourth Cl site, Cl(4) is bonded in a distorted rectangular see-saw-like geometry to one Pb(2), one Pb(3), and two equivalent Pb(1) atoms. F(1) is bonded to one Pb(1), one Pb(3), and two equivalent Pb(2) atoms to form edge-sharing FPb4 tetrahedra.