Pb12O8BrCl7 crystallizes in the monoclinic Pm space group. There are twelve inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 3-coordinate geometry to two equivalent O(3), one Cl(1), and one Cl(2) atom. In the second Pb site, Pb(2) is bonded in a 2-coordinate geometry to two equivalent O(4), one Cl(1), and one Cl(2) atom. In the third Pb site, Pb(3) is bonded in a 2-coordinate geometry to two equivalent O(1), two equivalent Br(1), one Cl(3), and one Cl(4) atom. In the fourth Pb site, Pb(4) is bonded in a 2-coordinate geometry to two equivalent O(2), one Cl(3), and one Cl(4) atom. In the fifth Pb site, Pb(5) is bonded in a distorted L-shaped geometry to two equivalent O(1), one Br(1), and one Cl(1) atom. In the sixth Pb site, Pb(6) is bonded in a 2-coordinate geometry to two equivalent O(2), one Cl(2), and one Cl(5) atom. In the seventh Pb site, Pb(7) is bonded in a 2-coordinate geometry to two equivalent O(3), one Cl(3), and one Cl(6) atom. In the eighth Pb site, Pb(8) is bonded in a 2-coordinate geometry to two equivalent O(4), one Cl(4), and one Cl(7) atom. In the ninth Pb site, Pb(9) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. In the tenth Pb site, Pb(10) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(4) atoms. In the eleventh Pb site, Pb(11) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. In the twelfth Pb site, Pb(12) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Pb(11), one Pb(3), one Pb(5), and one Pb(9) atom to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the second O site, O(2) is bonded to one Pb(10), one Pb(12), one Pb(4), and one Pb(6) atom to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the third O site, O(3) is bonded to one Pb(1), one Pb(11), one Pb(7), and one Pb(9) atom to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the fourth O site, O(4) is bonded to one Pb(10), one Pb(12), one Pb(2), and one Pb(8) atom to form a mixture of corner and edge-sharing OPb4 tetrahedra. Br(1) is bonded in a 3-coordinate geometry to one Pb(5) and two equivalent Pb(3) atoms. There are seven inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 3-coordinate geometry to one Pb(1), one Pb(2), and one Pb(5) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to one Pb(1), one Pb(2), and one Pb(6) atom. In the third Cl site, Cl(3) is bonded in a 3-coordinate geometry to one Pb(3), one Pb(4), and one Pb(7) atom. In the fourth Cl site, Cl(4) is bonded in a distorted single-bond geometry to one Pb(3), one Pb(4), and one Pb(8) atom. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one Pb(6) atom. In the sixth Cl site, Cl(6) is bonded in a single-bond geometry to one Pb(7) atom. In the seventh Cl site, Cl(7) is bonded in a single-bond geometry to one Pb(8) atom.
Pb12O8BrCl7 crystallizes in the monoclinic Pm space group. There are twelve inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 3-coordinate geometry to two equivalent O(3), one Cl(1), and one Cl(2) atom. Both Pb(1)-O(3) bond lengths are 2.30 Å. The Pb(1)-Cl(1) bond length is 3.25 Å. The Pb(1)-Cl(2) bond length is 2.98 Å. In the second Pb site, Pb(2) is bonded in a 2-coordinate geometry to two equivalent O(4), one Cl(1), and one Cl(2) atom. Both Pb(2)-O(4) bond lengths are 2.30 Å. The Pb(2)-Cl(1) bond length is 3.00 Å. The Pb(2)-Cl(2) bond length is 3.21 Å. In the third Pb site, Pb(3) is bonded in a 2-coordinate geometry to two equivalent O(1), two equivalent Br(1), one Cl(3), and one Cl(4) atom. Both Pb(3)-O(1) bond lengths are 2.31 Å. Both Pb(3)-Br(1) bond lengths are 3.37 Å. The Pb(3)-Cl(3) bond length is 3.20 Å. The Pb(3)-Cl(4) bond length is 3.02 Å. In the fourth Pb site, Pb(4) is bonded in a 2-coordinate geometry to two equivalent O(2), one Cl(3), and one Cl(4) atom. Both Pb(4)-O(2) bond lengths are 2.30 Å. The Pb(4)-Cl(3) bond length is 3.00 Å. The Pb(4)-Cl(4) bond length is 3.21 Å. In the fifth Pb site, Pb(5) is bonded in a distorted L-shaped geometry to two equivalent O(1), one Br(1), and one Cl(1) atom. Both Pb(5)-O(1) bond lengths are 2.25 Å. The Pb(5)-Br(1) bond length is 3.12 Å. The Pb(5)-Cl(1) bond length is 3.13 Å. In the sixth Pb site, Pb(6) is bonded in a 2-coordinate geometry to two equivalent O(2), one Cl(2), and one Cl(5) atom. Both Pb(6)-O(2) bond lengths are 2.25 Å. The Pb(6)-Cl(2) bond length is 3.21 Å. The Pb(6)-Cl(5) bond length is 2.94 Å. In the seventh Pb site, Pb(7) is bonded in a 2-coordinate geometry to two equivalent O(3), one Cl(3), and one Cl(6) atom. Both Pb(7)-O(3) bond lengths are 2.25 Å. The Pb(7)-Cl(3) bond length is 3.20 Å. The Pb(7)-Cl(6) bond length is 2.95 Å. In the eighth Pb site, Pb(8) is bonded in a 2-coordinate geometry to two equivalent O(4), one Cl(4), and one Cl(7) atom. Both Pb(8)-O(4) bond lengths are 2.25 Å. The Pb(8)-Cl(4) bond length is 3.21 Å. The Pb(8)-Cl(7) bond length is 2.95 Å. In the ninth Pb site, Pb(9) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. Both Pb(9)-O(1) bond lengths are 2.48 Å. Both Pb(9)-O(3) bond lengths are 2.38 Å. In the tenth Pb site, Pb(10) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(4) atoms. Both Pb(10)-O(2) bond lengths are 2.48 Å. Both Pb(10)-O(4) bond lengths are 2.38 Å. In the eleventh Pb site, Pb(11) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. Both Pb(11)-O(1) bond lengths are 2.38 Å. Both Pb(11)-O(3) bond lengths are 2.48 Å. In the twelfth Pb site, Pb(12) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(4) atoms. Both Pb(12)-O(2) bond lengths are 2.38 Å. Both Pb(12)-O(4) bond lengths are 2.48 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Pb(11), one Pb(3), one Pb(5), and one Pb(9) atom to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the second O site, O(2) is bonded to one Pb(10), one Pb(12), one Pb(4), and one Pb(6) atom to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the third O site, O(3) is bonded to one Pb(1), one Pb(11), one Pb(7), and one Pb(9) atom to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the fourth O site, O(4) is bonded to one Pb(10), one Pb(12), one Pb(2), and one Pb(8) atom to form a mixture of corner and edge-sharing OPb4 tetrahedra. Br(1) is bonded in a 3-coordinate geometry to one Pb(5) and two equivalent Pb(3) atoms. There are seven inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 3-coordinate geometry to one Pb(1), one Pb(2), and one Pb(5) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to one Pb(1), one Pb(2), and one Pb(6) atom. In the third Cl site, Cl(3) is bonded in a 3-coordinate geometry to one Pb(3), one Pb(4), and one Pb(7) atom. In the fourth Cl site, Cl(4) is bonded in a distorted single-bond geometry to one Pb(3), one Pb(4), and one Pb(8) atom. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one Pb(6) atom. In the sixth Cl site, Cl(6) is bonded in a single-bond geometry to one Pb(7) atom. In the seventh Cl site, Cl(7) is bonded in a single-bond geometry to one Pb(8) atom.