MgTlPb16(O4Br9)2Tl crystallizes in the triclinic P1 space group. The structure consists of one 7440-28-0 atom inside a MgTlPb16(O4Br9)2 framework. In the MgTlPb16(O4Br9)2 framework, Mg(1) is bonded in a 6-coordinate geometry to one Pb(16), one Pb(7), one Pb(9), one Br(16), one Br(6), and one Br(7) atom. Tl(1) is bonded in a 1-coordinate geometry to one Br(12) and one Br(16) atom. There are sixteen inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a distorted single-bond geometry to one O(7), one Br(13), and one Br(4) atom. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one O(1), one O(2), one O(6), and one Br(12) atom. In the third Pb site, Pb(3) is bonded in a distorted single-bond geometry to one O(3), one Br(10), one Br(3), and one Br(5) atom. In the fourth Pb site, Pb(4) is bonded in a 3-coordinate geometry to one O(1), one O(6), and one O(7) atom. In the fifth Pb site, Pb(5) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(7) atom. In the sixth Pb site, Pb(6) is bonded in a 3-coordinate geometry to one O(4), one O(5), and one O(8) atom. In the seventh Pb site, Pb(7) is bonded in a distorted single-bond geometry to one Mg(1), one O(8), one Br(12), and one Br(8) atom. In the eighth Pb site, Pb(8) is bonded in a distorted single-bond geometry to one O(5), one Br(1), one Br(10), and one Br(17) atom. In the ninth Pb site, Pb(9) is bonded in a 5-coordinate geometry to one Mg(1), one O(3), one O(4), one O(8), and one Br(3) atom. In the tenth Pb site, Pb(10) is bonded in a distorted single-bond geometry to one O(6), one Br(18), one Br(5), one Br(6), and one Br(7) atom. In the eleventh Pb site, Pb(11) is bonded in a 1-coordinate geometry to one O(1), one Br(11), and one Br(9) atom. In the twelfth Pb site, Pb(12) is bonded in a 3-coordinate geometry to one O(3), one O(5), and one O(8) atom. In the thirteenth Pb site, Pb(13) is bonded in a 3-coordinate geometry to one O(2), one O(6), and one O(7) atom. In the fourteenth Pb site, Pb(14) is bonded in a 1-coordinate geometry to one O(2), one Br(12), one Br(15), and one Br(2) atom. In the fifteenth Pb site, Pb(15) is bonded in a 3-coordinate geometry to one O(3), one O(4), one O(5), and one Br(4) atom. In the sixteenth Pb site, Pb(16) is bonded in a distorted single-bond geometry to one Mg(1), one O(4), one Br(14), one Br(3), and one Br(4) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Pb(11), one Pb(2), one Pb(4), and one Pb(5) atom to form edge-sharing OPb4 tetrahedra. In the second O site, O(2) is bonded to one Pb(13), one Pb(14), one Pb(2), and one Pb(5) atom to form edge-sharing OPb4 tetrahedra. In the third O site, O(3) is bonded to one Pb(12), one Pb(15), one Pb(3), and one Pb(9) atom to form edge-sharing OPb4 tetrahedra. In the fourth O site, O(4) is bonded to one Pb(15), one Pb(16), one Pb(6), and one Pb(9) atom to form distorted edge-sharing OPb4 tetrahedra. In the fifth O site, O(5) is bonded to one Pb(12), one Pb(15), one Pb(6), and one Pb(8) atom to form edge-sharing OPb4 tetrahedra. In the sixth O site, O(6) is bonded to one Pb(10), one Pb(13), one Pb(2), and one Pb(4) atom to form edge-sharing OPb4 tetrahedra. In the seventh O site, O(7) is bonded to one Pb(1), one Pb(13), one Pb(4), and one Pb(5) atom to form edge-sharing OPb4 tetrahedra. In the eighth O site, O(8) is bonded to one Pb(12), one Pb(6), one Pb(7), and one Pb(9) atom to form edge-sharing OPb4 tetrahedra. There are eighteen inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted single-bond geometry to one Pb(8) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Pb(14) atom. In the third Br site, Br(3) is bonded in a 3-coordinate geometry to one Pb(16), one Pb(3), and one Pb(9) atom. In the fourth Br site, Br(4) is bonded in a 3-coordinate geometry to one Pb(1), one Pb(15), and one Pb(16) atom. In the fifth Br site, Br(5) is bonded in a distorted water-like geometry to one Pb(10) and one Pb(3) atom. In the sixth Br site, Br(6) is bonded in a 2-coordinate geometry to one Mg(1) and one Pb(10) atom. In the seventh Br site, Br(7) is bonded in a distorted single-bond geometry to one Mg(1) and one Pb(10) atom. In the eighth Br site, Br(8) is bonded in a distorted single-bond geometry to one Pb(7) atom. In the ninth Br site, Br(9) is bonded in a distorted single-bond geometry to one Pb(11) atom. In the tenth Br site, Br(10) is bonded in a 2-coordinate geometry to one Pb(3) and one Pb(8) atom. In the eleventh Br site, Br(11) is bonded in a single-bond geometry to one Pb(11) atom. In the twelfth Br site, Br(12) is bonded in a 4-coordinate geometry to one Tl(1), one Pb(14), one Pb(2), and one Pb(7) atom. In the thirteenth Br site, Br(13) is bonded in a distorted single-bond geometry to one Pb(1) atom. In the fourteenth Br site, Br(14) is bonded in a distorted single-bond geometry to one Pb(16) atom. In the fifteenth Br site, Br(15) is bonded in a 1-coordinate geometry to one Pb(14) atom. In the sixteenth Br site, Br(16) is bonded in a distorted single-bond geometry to one Mg(1) and one Tl(1) atom. In the seventeenth Br site, Br(17) is bonded in a distorted single-bond geometry to one Pb(8) atom. In the eighteenth Br site, Br(18) is bonded in a distorted single-bond geometry to one Pb(10) atom.
MgTlPb16(O4Br9)2Tl crystallizes in the triclinic P1 space group. The structure consists of one 7440-28-0 atom inside a MgTlPb16(O4Br9)2 framework. In the MgTlPb16(O4Br9)2 framework, Mg(1) is bonded in a 6-coordinate geometry to one Pb(16), one Pb(7), one Pb(9), one Br(16), one Br(6), and one Br(7) atom. The Mg(1)-Pb(16) bond length is 3.20 Å. The Mg(1)-Pb(7) bond length is 3.25 Å. The Mg(1)-Pb(9) bond length is 3.16 Å. The Mg(1)-Br(16) bond length is 2.57 Å. The Mg(1)-Br(6) bond length is 2.71 Å. The Mg(1)-Br(7) bond length is 2.64 Å. Tl(1) is bonded in a 1-coordinate geometry to one Br(12) and one Br(16) atom. The Tl(1)-Br(12) bond length is 3.44 Å. The Tl(1)-Br(16) bond length is 3.33 Å. There are sixteen inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a distorted single-bond geometry to one O(7), one Br(13), and one Br(4) atom. The Pb(1)-O(7) bond length is 2.30 Å. The Pb(1)-Br(13) bond length is 2.97 Å. The Pb(1)-Br(4) bond length is 2.95 Å. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one O(1), one O(2), one O(6), and one Br(12) atom. The Pb(2)-O(1) bond length is 2.33 Å. The Pb(2)-O(2) bond length is 2.39 Å. The Pb(2)-O(6) bond length is 2.38 Å. The Pb(2)-Br(12) bond length is 3.31 Å. In the third Pb site, Pb(3) is bonded in a distorted single-bond geometry to one O(3), one Br(10), one Br(3), and one Br(5) atom. The Pb(3)-O(3) bond length is 2.31 Å. The Pb(3)-Br(10) bond length is 3.21 Å. The Pb(3)-Br(3) bond length is 3.05 Å. The Pb(3)-Br(5) bond length is 2.99 Å. In the fourth Pb site, Pb(4) is bonded in a 3-coordinate geometry to one O(1), one O(6), and one O(7) atom. The Pb(4)-O(1) bond length is 2.41 Å. The Pb(4)-O(6) bond length is 2.33 Å. The Pb(4)-O(7) bond length is 2.38 Å. In the fifth Pb site, Pb(5) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(7) atom. The Pb(5)-O(1) bond length is 2.37 Å. The Pb(5)-O(2) bond length is 2.34 Å. The Pb(5)-O(7) bond length is 2.41 Å. In the sixth Pb site, Pb(6) is bonded in a 3-coordinate geometry to one O(4), one O(5), and one O(8) atom. The Pb(6)-O(4) bond length is 2.32 Å. The Pb(6)-O(5) bond length is 2.39 Å. The Pb(6)-O(8) bond length is 2.32 Å. In the seventh Pb site, Pb(7) is bonded in a distorted single-bond geometry to one Mg(1), one O(8), one Br(12), and one Br(8) atom. The Pb(7)-O(8) bond length is 2.28 Å. The Pb(7)-Br(12) bond length is 3.09 Å. The Pb(7)-Br(8) bond length is 3.16 Å. In the eighth Pb site, Pb(8) is bonded in a distorted single-bond geometry to one O(5), one Br(1), one Br(10), and one Br(17) atom. The Pb(8)-O(5) bond length is 2.32 Å. The Pb(8)-Br(1) bond length is 3.00 Å. The Pb(8)-Br(10) bond length is 3.11 Å. The Pb(8)-Br(17) bond length is 3.04 Å. In the ninth Pb site, Pb(9) is bonded in a 5-coordinate geometry to one Mg(1), one O(3), one O(4), one O(8), and one Br(3) atom. The Pb(9)-O(3) bond length is 2.35 Å. The Pb(9)-O(4) bond length is 2.53 Å. The Pb(9)-O(8) bond length is 2.44 Å. The Pb(9)-Br(3) bond length is 3.34 Å. In the tenth Pb site, Pb(10) is bonded in a distorted single-bond geometry to one O(6), one Br(18), one Br(5), one Br(6), and one Br(7) atom. The Pb(10)-O(6) bond length is 2.28 Å. The Pb(10)-Br(18) bond length is 3.24 Å. The Pb(10)-Br(5) bond length is 3.08 Å. The Pb(10)-Br(6) bond length is 3.02 Å. The Pb(10)-Br(7) bond length is 3.16 Å. In the eleventh Pb site, Pb(11) is bonded in a 1-coordinate geometry to one O(1), one Br(11), and one Br(9) atom. The Pb(11)-O(1) bond length is 2.32 Å. The Pb(11)-Br(11) bond length is 2.97 Å. The Pb(11)-Br(9) bond length is 2.92 Å. In the twelfth Pb site, Pb(12) is bonded in a 3-coordinate geometry to one O(3), one O(5), and one O(8) atom. The Pb(12)-O(3) bond length is 2.40 Å. The Pb(12)-O(5) bond length is 2.33 Å. The Pb(12)-O(8) bond length is 2.39 Å. In the thirteenth Pb site, Pb(13) is bonded in a 3-coordinate geometry to one O(2), one O(6), and one O(7) atom. The Pb(13)-O(2) bond length is 2.35 Å. The Pb(13)-O(6) bond length is 2.42 Å. The Pb(13)-O(7) bond length is 2.32 Å. In the fourteenth Pb site, Pb(14) is bonded in a 1-coordinate geometry to one O(2), one Br(12), one Br(15), and one Br(2) atom. The Pb(14)-O(2) bond length is 2.31 Å. The Pb(14)-Br(12) bond length is 3.32 Å. The Pb(14)-Br(15) bond length is 2.92 Å. The Pb(14)-Br(2) bond length is 3.00 Å. In the fifteenth Pb site, Pb(15) is bonded in a 3-coordinate geometry to one O(3), one O(4), one O(5), and one Br(4) atom. The Pb(15)-O(3) bond length is 2.37 Å. The Pb(15)-O(4) bond length is 2.37 Å. The Pb(15)-O(5) bond length is 2.36 Å. The Pb(15)-Br(4) bond length is 3.35 Å. In the sixteenth Pb site, Pb(16) is bonded in a distorted single-bond geometry to one Mg(1), one O(4), one Br(14), one Br(3), and one Br(4) atom. The Pb(16)-O(4) bond length is 2.27 Å. The Pb(16)-Br(14) bond length is 3.01 Å. The Pb(16)-Br(3) bond length is 3.32 Å. The Pb(16)-Br(4) bond length is 3.24 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Pb(11), one Pb(2), one Pb(4), and one Pb(5) atom to form edge-sharing OPb4 tetrahedra. In the second O site, O(2) is bonded to one Pb(13), one Pb(14), one Pb(2), and one Pb(5) atom to form edge-sharing OPb4 tetrahedra. In the third O site, O(3) is bonded to one Pb(12), one Pb(15), one Pb(3), and one Pb(9) atom to form edge-sharing OPb4 tetrahedra. In the fourth O site, O(4) is bonded to one Pb(15), one Pb(16), one Pb(6), and one Pb(9) atom to form distorted edge-sharing OPb4 tetrahedra. In the fifth O site, O(5) is bonded to one Pb(12), one Pb(15), one Pb(6), and one Pb(8) atom to form edge-sharing OPb4 tetrahedra. In the sixth O site, O(6) is bonded to one Pb(10), one Pb(13), one Pb(2), and one Pb(4) atom to form edge-sharing OPb4 tetrahedra. In the seventh O site, O(7) is bonded to one Pb(1), one Pb(13), one Pb(4), and one Pb(5) atom to form edge-sharing OPb4 tetrahedra. In the eighth O site, O(8) is bonded to one Pb(12), one Pb(6), one Pb(7), and one Pb(9) atom to form edge-sharing OPb4 tetrahedra. There are eighteen inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted single-bond geometry to one Pb(8) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Pb(14) atom. In the third Br site, Br(3) is bonded in a 3-coordinate geometry to one Pb(16), one Pb(3), and one Pb(9) atom. In the fourth Br site, Br(4) is bonded in a 3-coordinate geometry to one Pb(1), one Pb(15), and one Pb(16) atom. In the fifth Br site, Br(5) is bonded in a distorted water-like geometry to one Pb(10) and one Pb(3) atom. In the sixth Br site, Br(6) is bonded in a 2-coordinate geometry to one Mg(1) and one Pb(10) atom. In the seventh Br site, Br(7) is bonded in a distorted single-bond geometry to one Mg(1) and one Pb(10) atom. In the eighth Br site, Br(8) is bonded in a distorted single-bond geometry to one Pb(7) atom. In the ninth Br site, Br(9) is bonded in a distorted single-bond geometry to one Pb(11) atom. In the tenth Br site, Br(10) is bonded in a 2-coordinate geometry to one Pb(3) and one Pb(8) atom. In the eleventh Br site, Br(11) is bonded in a single-bond geometry to one Pb(11) atom. In the twelfth Br site, Br(12) is bonded in a 4-coordinate geometry to one Tl(1), one Pb(14), one Pb(2), and one Pb(7) atom. In the thirteenth Br site, Br(13) is bonded in a distorted single-bond geometry to one Pb(1) atom. In the fourteenth Br site, Br(14) is bonded in a distorted single-bond geometry to one Pb(16) atom. In the fifteenth Br site, Br(15) is bonded in a 1-coordinate geometry to one Pb(14) atom. In the sixteenth Br site, Br(16) is bonded in a distorted single-bond geometry to one Mg(1) and one Tl(1) atom. In the seventeenth Br site, Br(17) is bonded in a distorted single-bond geometry to one Pb(8) atom. In the eighteenth Br site, Br(18) is bonded in a distorted single-bond geometry to one Pb(10) atom.