The compound described by Ba2Cu4Te4O11Cl4 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 1-coordinate geometry to one Cu(4) and one O(4) atom. In the second Ba site, Ba(2) is bonded in a distorted single-bond geometry to one Cu(2) and one O(8) atom. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted single-bond geometry to one Cl(3) and one Cl(4) atom. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one Ba(2), one O(10), one O(11), one O(2), and one O(5) atom. In the third Cu site, Cu(3) is bonded in a 5-coordinate geometry to one Te(4), one O(1), one Cl(2), and two equivalent Cl(1) atoms. In the fourth Cu site, Cu(4) is bonded in a 6-coordinate geometry to one Ba(1), one O(1), one O(3), one O(6), one O(7), and one O(9) atom. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted single-bond geometry to one O(1), one O(6), one O(8), and one Cl(2) atom. In the second Te site, Te(2) is bonded in a distorted single-bond geometry to one O(11), one O(4), one Cl(1), and one Cl(3) atom. In the third Te site, Te(3) is bonded in a distorted single-bond geometry to one O(1), one O(4), one O(7), and one Cl(3) atom. In the fourth Te site, Te(4) is bonded in a distorted single-bond geometry to one Cu(3), one O(5), one O(8), one Cl(1), and one Cl(2) atom. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal pyramidal geometry to one Cu(3), one Cu(4), one Te(1), and one Te(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cu(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cu(4) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Te(2), one Te(3), and one Cl(3) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Cu(2) and one Te(4) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Cu(4) and one Te(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Cu(4) and one Te(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ba(2), one Te(1), one Te(4), and one Cl(2) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Cu(4) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Cu(2) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Cu(2) and one Te(2) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to two equivalent Cu(3), one Te(2), and one Te(4) atom. In the second Cl site, Cl(2) is bonded in a 4-coordinate geometry to one Cu(3), one Te(1), one Te(4), and one O(8) atom. In the third Cl site, Cl(3) is bonded in a 4-coordinate geometry to one Cu(1), one Te(2), one Te(3), and one O(4) atom. In the fourth Cl site, Cl(4) is bonded in a distorted single-bond geometry to one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2Cu4Te4Cl4O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.389
_cell_length_b   9.407
_cell_length_c   12.382
_cell_angle_alpha   110.912
_cell_angle_beta   98.363
_cell_angle_gamma   108.205
_symmetry_Int_Tables_number   1
_cell_volume   928.867
_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  0.963  0.226  0.558  1.0
  Ba  Ba1  1  0.532  0.271  0.449  1.0
  Ba  Ba2  1  0.037  0.774  0.442  1.0
  Ba  Ba3  1  0.468  0.729  0.551  1.0
  Cu  Cu4  1  0.673  0.537  0.017  1.0
  Cu  Cu5  1  0.327  0.463  0.983  1.0
  Cu  Cu6  1  0.643  0.430  0.671  1.0
  Cu  Cu7  1  0.782  0.921  0.985  1.0
  Cu  Cu8  1  0.218  0.079  0.015  1.0
  Cu  Cu9  1  0.858  0.071  0.329  1.0
  Cu  Cu10  1  0.142  0.929  0.671  1.0
  Cu  Cu11  1  0.357  0.570  0.329  1.0
  Te  Te12  1  0.541  0.980  0.241  1.0
  Te  Te13  1  0.990  0.516  0.739  1.0
  Te  Te14  1  0.010  0.484  0.261  1.0
  Te  Te15  1  0.459  0.020  0.759  1.0
  Te  Te16  1  0.216  0.267  0.758  1.0
  Te  Te17  1  0.784  0.733  0.242  1.0
  Te  Te18  1  0.712  0.787  0.736  1.0
  Te  Te19  1  0.288  0.213  0.264  1.0
  Cl  Cl20  1  0.919  0.767  0.918  1.0
  Cl  Cl21  1  0.081  0.233  0.082  1.0
  Cl  Cl22  1  0.230  0.898  0.142  1.0
  Cl  Cl23  1  0.282  0.615  0.848  1.0
  Cl  Cl24  1  0.770  0.102  0.858  1.0
  Cl  Cl25  1  0.718  0.385  0.152  1.0
  Cl  Cl26  1  0.448  0.617  0.083  1.0
  Cl  Cl27  1  0.552  0.383  0.917  1.0
  O  O28  1  0.711  0.888  0.162  1.0
  O  O29  1  0.441  0.408  0.646  1.0
  O  O30  1  0.866  0.273  0.362  1.0
  O  O31  1  0.151  0.438  0.655  1.0
  O  O32  1  0.849  0.562  0.345  1.0
  O  O33  1  0.695  0.661  0.634  1.0
  O  O34  1  0.559  0.592  0.354  1.0
  O  O35  1  0.134  0.727  0.638  1.0
  O  O36  1  0.626  0.029  0.353  1.0
  O  O37  1  0.816  0.846  0.350  1.0
  O  O38  1  0.654  0.935  0.655  1.0
  O  O39  1  0.055  0.090  0.362  1.0
  O  O40  1  0.289  0.112  0.838  1.0
  O  O41  1  0.945  0.910  0.638  1.0
  O  O42  1  0.374  0.971  0.647  1.0
  O  O43  1  0.184  0.154  0.650  1.0
  O  O44  1  0.346  0.065  0.345  1.0
  O  O45  1  0.373  0.779  0.350  1.0
  O  O46  1  0.120  0.525  0.360  1.0
  O  O47  1  0.305  0.339  0.366  1.0
  O  O48  1  0.880  0.475  0.640  1.0
  O  O49  1  0.627  0.221  0.650  1.0
[/CIF]
.
The compound described by Ba2Cu4Te4O11Cl4 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 1-coordinate geometry to one Cu(4) and one O(4) atom. In the second Ba site, Ba(2) is bonded in a distorted single-bond geometry to one Cu(2) and one O(8) atom. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted single-bond geometry to one Cl(3) and one Cl(4) atom. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one Ba(2), one O(10), one O(11), one O(2), and one O(5) atom. In the third Cu site, Cu(3) is bonded in a 5-coordinate geometry to one Te(4), one O(1), one Cl(2), and two equivalent Cl(1) atoms. In the fourth Cu site, Cu(4) is bonded in a 6-coordinate geometry to one Ba(1), one O(1), one O(3), one O(6), one O(7), and one O(9) atom. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted single-bond geometry to one O(1), one O(6), one O(8), and one Cl(2) atom. In the second Te site, Te(2) is bonded in a distorted single-bond geometry to one O(11), one O(4), one Cl(1), and one Cl(3) atom. In the third Te site, Te(3) is bonded in a distorted single-bond geometry to one O(1), one O(4), one O(7), and one Cl(3) atom. In the fourth Te site, Te(4) is bonded in a distorted single-bond geometry to one Cu(3), one O(5), one O(8), one Cl(1), and one Cl(2) atom. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal pyramidal geometry to one Cu(3), one Cu(4), one Te(1), and one Te(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cu(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cu(4) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Te(2), one Te(3), and one Cl(3) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Cu(2) and one Te(4) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Cu(4) and one Te(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Cu(4) and one Te(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ba(2), one Te(1), one Te(4), and one Cl(2) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Cu(4) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Cu(2) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Cu(2) and one Te(2) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to two equivalent Cu(3), one Te(2), and one Te(4) atom. In the second Cl site, Cl(2) is bonded in a 4-coordinate geometry to one Cu(3), one Te(1), one Te(4), and one O(8) atom. In the third Cl site, Cl(3) is bonded in a 4-coordinate geometry to one Cu(1), one Te(2), one Te(3), and one O(4) atom. In the fourth Cl site, Cl(4) is bonded in a distorted single-bond geometry to one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2Cu4Te4Cl4O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.389
_cell_length_b   9.407
_cell_length_c   12.382
_cell_angle_alpha   110.912
_cell_angle_beta   98.363
_cell_angle_gamma   108.205
_symmetry_Int_Tables_number   1
_cell_volume   928.867
_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  0.963  0.226  0.558  1.0
  Ba  Ba1  1  0.532  0.271  0.449  1.0
  Ba  Ba2  1  0.037  0.774  0.442  1.0
  Ba  Ba3  1  0.468  0.729  0.551  1.0
  Cu  Cu4  1  0.673  0.537  0.017  1.0
  Cu  Cu5  1  0.327  0.463  0.983  1.0
  Cu  Cu6  1  0.643  0.430  0.671  1.0
  Cu  Cu7  1  0.782  0.921  0.985  1.0
  Cu  Cu8  1  0.218  0.079  0.015  1.0
  Cu  Cu9  1  0.858  0.071  0.329  1.0
  Cu  Cu10  1  0.142  0.929  0.671  1.0
  Cu  Cu11  1  0.357  0.570  0.329  1.0
  Te  Te12  1  0.541  0.980  0.241  1.0
  Te  Te13  1  0.990  0.516  0.739  1.0
  Te  Te14  1  0.010  0.484  0.261  1.0
  Te  Te15  1  0.459  0.020  0.759  1.0
  Te  Te16  1  0.216  0.267  0.758  1.0
  Te  Te17  1  0.784  0.733  0.242  1.0
  Te  Te18  1  0.712  0.787  0.736  1.0
  Te  Te19  1  0.288  0.213  0.264  1.0
  Cl  Cl20  1  0.919  0.767  0.918  1.0
  Cl  Cl21  1  0.081  0.233  0.082  1.0
  Cl  Cl22  1  0.230  0.898  0.142  1.0
  Cl  Cl23  1  0.282  0.615  0.848  1.0
  Cl  Cl24  1  0.770  0.102  0.858  1.0
  Cl  Cl25  1  0.718  0.385  0.152  1.0
  Cl  Cl26  1  0.448  0.617  0.083  1.0
  Cl  Cl27  1  0.552  0.383  0.917  1.0
  O  O28  1  0.711  0.888  0.162  1.0
  O  O29  1  0.441  0.408  0.646  1.0
  O  O30  1  0.866  0.273  0.362  1.0
  O  O31  1  0.151  0.438  0.655  1.0
  O  O32  1  0.849  0.562  0.345  1.0
  O  O33  1  0.695  0.661  0.634  1.0
  O  O34  1  0.559  0.592  0.354  1.0
  O  O35  1  0.134  0.727  0.638  1.0
  O  O36  1  0.626  0.029  0.353  1.0
  O  O37  1  0.816  0.846  0.350  1.0
  O  O38  1  0.654  0.935  0.655  1.0
  O  O39  1  0.055  0.090  0.362  1.0
  O  O40  1  0.289  0.112  0.838  1.0
  O  O41  1  0.945  0.910  0.638  1.0
  O  O42  1  0.374  0.971  0.647  1.0
  O  O43  1  0.184  0.154  0.650  1.0
  O  O44  1  0.346  0.065  0.345  1.0
  O  O45  1  0.373  0.779  0.350  1.0
  O  O46  1  0.120  0.525  0.360  1.0
  O  O47  1  0.305  0.339  0.366  1.0
  O  O48  1  0.880  0.475  0.640  1.0
  O  O49  1  0.627  0.221  0.650  1.0
[/CIF]
.