Ba2Cu2Te4O11Br2 crystallizes in the triclinic P-1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one O(1), one O(10), one O(4), one O(5), one O(6), one O(9), two equivalent O(3), two equivalent O(7), and one Br(2) atom. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to one O(1), one O(10), one O(4), one O(5), one O(6), one O(9), two equivalent O(2), two equivalent O(8), and one Br(1) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), one O(5), and one Br(2) atom. In the second Cu site, Cu(2) is bonded in a distorted rectangular see-saw-like geometry to one O(4), one O(6), one O(7), one O(8), and one Br(1) atom. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted T-shaped geometry to one O(3), one O(6), and one O(9) atom. In the second Te site, Te(2) is bonded in a distorted T-shaped geometry to one O(10), one O(5), one O(7), and one Br(2) atom. In the third Te site, Te(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(11), one O(8), and one Br(2) atom. In the fourth Te site, Te(4) is bonded in a rectangular see-saw-like geometry to one O(11), one O(2), one O(4), and one O(9) atom. There are eleven inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Ba(2), one Cu(1), and one Te(3) atom to form a mixture of distorted edge and corner-sharing OBa2CuTe tetrahedra. In the second O site, O(2) is bonded to two equivalent Ba(2), one Cu(1), and one Te(4) atom to form a mixture of distorted edge and corner-sharing OBa2CuTe tetrahedra. In the third O site, O(3) is bonded to two equivalent Ba(1), one Cu(1), and one Te(1) atom to form a mixture of distorted edge and corner-sharing OBa2CuTe tetrahedra. In the fourth O site, O(4) is bonded to one Ba(1), one Ba(2), one Cu(2), and one Te(4) atom to form a mixture of distorted edge and corner-sharing OBa2CuTe tetrahedra. In the fifth O site, O(5) is bonded to one Ba(1), one Ba(2), one Cu(1), and one Te(2) atom to form a mixture of distorted edge and corner-sharing OBa2CuTe tetrahedra. In the sixth O site, O(6) is bonded to one Ba(1), one Ba(2), one Cu(2), and one Te(1) atom to form a mixture of distorted edge and corner-sharing OBa2CuTe tetrahedra. In the seventh O site, O(7) is bonded to two equivalent Ba(1), one Cu(2), and one Te(2) atom to form a mixture of distorted edge and corner-sharing OBa2CuTe tetrahedra. In the eighth O site, O(8) is bonded to two equivalent Ba(2), one Cu(2), and one Te(3) atom to form a mixture of distorted edge and corner-sharing OBa2CuTe tetrahedra. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Te(1), and one Te(4) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Te(2), and one Te(3) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Te(3) and one Te(4) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 2-coordinate geometry to one Ba(2) and one Cu(2) atom. In the second Br site, Br(2) is bonded in a 4-coordinate geometry to one Ba(1), one Cu(1), one Te(2), and one Te(3) atom.
Ba2Cu2Te4O11Br2 crystallizes in the triclinic P-1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one O(1), one O(10), one O(4), one O(5), one O(6), one O(9), two equivalent O(3), two equivalent O(7), and one Br(2) atom. The Ba(1)-O(1) bond length is 2.87 Å. The Ba(1)-O(10) bond length is 2.88 Å. The Ba(1)-O(4) bond length is 2.86 Å. The Ba(1)-O(5) bond length is 2.89 Å. The Ba(1)-O(6) bond length is 2.96 Å. The Ba(1)-O(9) bond length is 2.94 Å. There is one shorter (2.90 Å) and one longer (2.95 Å) Ba(1)-O(3) bond length. There is one shorter (2.88 Å) and one longer (2.89 Å) Ba(1)-O(7) bond length. The Ba(1)-Br(2) bond length is 3.55 Å. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to one O(1), one O(10), one O(4), one O(5), one O(6), one O(9), two equivalent O(2), two equivalent O(8), and one Br(1) atom. The Ba(2)-O(1) bond length is 2.93 Å. The Ba(2)-O(10) bond length is 2.89 Å. The Ba(2)-O(4) bond length is 2.97 Å. The Ba(2)-O(5) bond length is 2.88 Å. The Ba(2)-O(6) bond length is 2.88 Å. The Ba(2)-O(9) bond length is 2.95 Å. There is one shorter (2.87 Å) and one longer (2.96 Å) Ba(2)-O(2) bond length. There is one shorter (2.87 Å) and one longer (2.91 Å) Ba(2)-O(8) bond length. The Ba(2)-Br(1) bond length is 3.53 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), one O(5), and one Br(2) atom. The Cu(1)-O(1) bond length is 1.95 Å. The Cu(1)-O(2) bond length is 1.95 Å. The Cu(1)-O(3) bond length is 1.95 Å. The Cu(1)-O(5) bond length is 1.95 Å. The Cu(1)-Br(2) bond length is 3.15 Å. In the second Cu site, Cu(2) is bonded in a distorted rectangular see-saw-like geometry to one O(4), one O(6), one O(7), one O(8), and one Br(1) atom. The Cu(2)-O(4) bond length is 1.95 Å. The Cu(2)-O(6) bond length is 1.95 Å. The Cu(2)-O(7) bond length is 1.95 Å. The Cu(2)-O(8) bond length is 1.95 Å. The Cu(2)-Br(1) bond length is 3.18 Å. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted T-shaped geometry to one O(3), one O(6), and one O(9) atom. The Te(1)-O(3) bond length is 1.87 Å. The Te(1)-O(6) bond length is 1.87 Å. The Te(1)-O(9) bond length is 1.89 Å. In the second Te site, Te(2) is bonded in a distorted T-shaped geometry to one O(10), one O(5), one O(7), and one Br(2) atom. The Te(2)-O(10) bond length is 1.90 Å. The Te(2)-O(5) bond length is 1.89 Å. The Te(2)-O(7) bond length is 1.89 Å. The Te(2)-Br(2) bond length is 3.31 Å. In the third Te site, Te(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(11), one O(8), and one Br(2) atom. The Te(3)-O(1) bond length is 1.89 Å. The Te(3)-O(10) bond length is 2.31 Å. The Te(3)-O(11) bond length is 1.97 Å. The Te(3)-O(8) bond length is 1.89 Å. The Te(3)-Br(2) bond length is 3.38 Å. In the fourth Te site, Te(4) is bonded in a rectangular see-saw-like geometry to one O(11), one O(2), one O(4), and one O(9) atom. The Te(4)-O(11) bond length is 1.95 Å. The Te(4)-O(2) bond length is 1.88 Å. The Te(4)-O(4) bond length is 1.88 Å. The Te(4)-O(9) bond length is 2.31 Å. There are eleven inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Ba(2), one Cu(1), and one Te(3) atom to form a mixture of distorted edge and corner-sharing OBa2CuTe tetrahedra. In the second O site, O(2) is bonded to two equivalent Ba(2), one Cu(1), and one Te(4) atom to form a mixture of distorted edge and corner-sharing OBa2CuTe tetrahedra. In the third O site, O(3) is bonded to two equivalent Ba(1), one Cu(1), and one Te(1) atom to form a mixture of distorted edge and corner-sharing OBa2CuTe tetrahedra. In the fourth O site, O(4) is bonded to one Ba(1), one Ba(2), one Cu(2), and one Te(4) atom to form a mixture of distorted edge and corner-sharing OBa2CuTe tetrahedra. In the fifth O site, O(5) is bonded to one Ba(1), one Ba(2), one Cu(1), and one Te(2) atom to form a mixture of distorted edge and corner-sharing OBa2CuTe tetrahedra. In the sixth O site, O(6) is bonded to one Ba(1), one Ba(2), one Cu(2), and one Te(1) atom to form a mixture of distorted edge and corner-sharing OBa2CuTe tetrahedra. In the seventh O site, O(7) is bonded to two equivalent Ba(1), one Cu(2), and one Te(2) atom to form a mixture of distorted edge and corner-sharing OBa2CuTe tetrahedra. In the eighth O site, O(8) is bonded to two equivalent Ba(2), one Cu(2), and one Te(3) atom to form a mixture of distorted edge and corner-sharing OBa2CuTe tetrahedra. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Te(1), and one Te(4) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Te(2), and one Te(3) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Te(3) and one Te(4) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 2-coordinate geometry to one Ba(2) and one Cu(2) atom. In the second Br site, Br(2) is bonded in a 4-coordinate geometry to one Ba(1), one Cu(1), one Te(2), and one Te(3) atom.