The crystal structure described by 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2Cu2Te4Br2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.295
_cell_length_b   9.291
_cell_length_c   9.532
_cell_angle_alpha   99.636
_cell_angle_beta   99.727
_cell_angle_gamma   108.308
_symmetry_Int_Tables_number   1
_cell_volume   748.576
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.982  0.734  0.429  1.0
  Ba  Ba1  1  0.018  0.266  0.571  1.0
  Ba  Ba2  1  0.482  0.232  0.431  1.0
  Ba  Ba3  1  0.518  0.768  0.569  1.0
  Cu  Cu4  1  0.200  0.450  0.301  1.0
  Cu  Cu5  1  0.800  0.550  0.699  1.0
  Cu  Cu6  1  0.302  0.051  0.700  1.0
  Cu  Cu7  1  0.698  0.949  0.300  1.0
  Te  Te8  1  0.791  0.313  0.212  1.0
  Te  Te9  1  0.209  0.687  0.788  1.0
  Te  Te10  1  0.065  0.042  0.214  1.0
  Te  Te11  1  0.935  0.958  0.786  1.0
  Te  Te12  1  0.697  0.205  0.801  1.0
  Te  Te13  1  0.303  0.795  0.199  1.0
  Te  Te14  1  0.461  0.446  0.806  1.0
  Te  Te15  1  0.539  0.554  0.194  1.0
  Br  Br16  1  0.645  0.893  0.954  1.0
  Br  Br17  1  0.355  0.107  0.046  1.0
  Br  Br18  1  0.916  0.669  0.043  1.0
  Br  Br19  1  0.084  0.331  0.957  1.0
  O  O20  1  0.237  0.673  0.332  1.0
  O  O21  1  0.763  0.327  0.668  1.0
  O  O22  1  0.423  0.486  0.328  1.0
  O  O23  1  0.577  0.514  0.672  1.0
  O  O24  1  0.009  0.575  0.670  1.0
  O  O25  1  0.991  0.425  0.330  1.0
  O  O26  1  0.323  0.260  0.675  1.0
  O  O27  1  0.677  0.740  0.325  1.0
  O  O28  1  0.176  0.244  0.335  1.0
  O  O29  1  0.824  0.756  0.665  1.0
  O  O30  1  0.263  0.828  0.670  1.0
  O  O31  1  0.737  0.172  0.330  1.0
  O  O32  1  0.078  0.008  0.667  1.0
  O  O33  1  0.922  0.992  0.333  1.0
  O  O34  1  0.508  0.073  0.667  1.0
  O  O35  1  0.492  0.927  0.333  1.0
  O  O36  1  0.706  0.448  0.310  1.0
  O  O37  1  0.294  0.552  0.690  1.0
  O  O38  1  0.200  0.961  0.322  1.0
  O  O39  1  0.800  0.039  0.678  1.0
  O  O40  1  0.400  0.654  0.111  1.0
  O  O41  1  0.600  0.346  0.889  1.0
[/CIF]
.
The crystal structure described by 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2Cu2Te4Br2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.295
_cell_length_b   9.291
_cell_length_c   9.532
_cell_angle_alpha   99.636
_cell_angle_beta   99.727
_cell_angle_gamma   108.308
_symmetry_Int_Tables_number   1
_cell_volume   748.576
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.982  0.734  0.429  1.0
  Ba  Ba1  1  0.018  0.266  0.571  1.0
  Ba  Ba2  1  0.482  0.232  0.431  1.0
  Ba  Ba3  1  0.518  0.768  0.569  1.0
  Cu  Cu4  1  0.200  0.450  0.301  1.0
  Cu  Cu5  1  0.800  0.550  0.699  1.0
  Cu  Cu6  1  0.302  0.051  0.700  1.0
  Cu  Cu7  1  0.698  0.949  0.300  1.0
  Te  Te8  1  0.791  0.313  0.212  1.0
  Te  Te9  1  0.209  0.687  0.788  1.0
  Te  Te10  1  0.065  0.042  0.214  1.0
  Te  Te11  1  0.935  0.958  0.786  1.0
  Te  Te12  1  0.697  0.205  0.801  1.0
  Te  Te13  1  0.303  0.795  0.199  1.0
  Te  Te14  1  0.461  0.446  0.806  1.0
  Te  Te15  1  0.539  0.554  0.194  1.0
  Br  Br16  1  0.645  0.893  0.954  1.0
  Br  Br17  1  0.355  0.107  0.046  1.0
  Br  Br18  1  0.916  0.669  0.043  1.0
  Br  Br19  1  0.084  0.331  0.957  1.0
  O  O20  1  0.237  0.673  0.332  1.0
  O  O21  1  0.763  0.327  0.668  1.0
  O  O22  1  0.423  0.486  0.328  1.0
  O  O23  1  0.577  0.514  0.672  1.0
  O  O24  1  0.009  0.575  0.670  1.0
  O  O25  1  0.991  0.425  0.330  1.0
  O  O26  1  0.323  0.260  0.675  1.0
  O  O27  1  0.677  0.740  0.325  1.0
  O  O28  1  0.176  0.244  0.335  1.0
  O  O29  1  0.824  0.756  0.665  1.0
  O  O30  1  0.263  0.828  0.670  1.0
  O  O31  1  0.737  0.172  0.330  1.0
  O  O32  1  0.078  0.008  0.667  1.0
  O  O33  1  0.922  0.992  0.333  1.0
  O  O34  1  0.508  0.073  0.667  1.0
  O  O35  1  0.492  0.927  0.333  1.0
  O  O36  1  0.706  0.448  0.310  1.0
  O  O37  1  0.294  0.552  0.690  1.0
  O  O38  1  0.200  0.961  0.322  1.0
  O  O39  1  0.800  0.039  0.678  1.0
  O  O40  1  0.400  0.654  0.111  1.0
  O  O41  1  0.600  0.346  0.889  1.0
[/CIF]
.