The material structure described by BaCu2Te2(O3Cl)2 crystallizes in the monoclinic P2_1 space group. Ba(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(5), two equivalent O(6), and two equivalent Cl(2) atoms. 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(4), one O(5), and one O(6) atom. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one Cl(1), and one Cl(2) atom. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted T-shaped geometry to one O(2), one O(3), and one O(6) atom. In the second Te site, Te(2) is bonded in a distorted see-saw-like geometry to one O(1), one O(3), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ba(1), one Cu(1), and one Te(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ba(1), one Cu(2), and one Te(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cu(2), one Te(1), and one Te(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Cu(1), one Cu(2), and one Te(2) atom. In the fifth O site, O(5) is bonded to two equivalent Ba(1), one Cu(1), and one Te(2) atom to form distorted corner-sharing OBa2CuTe tetrahedra. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Cu(1), and one Te(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Cu(2) atom. In the second Cl site, Cl(2) is bonded in a T-shaped geometry to two equivalent Ba(1) and one Cu(2) atom. is represented by the CIF file [CIF]
data_BaCu2Te2(ClO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.575
_cell_length_b   7.528
_cell_length_c   8.377
_cell_angle_alpha   82.640
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   473.781
_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  0.659  0.136  0.933  1.0
  Ba  Ba1  1  0.159  0.864  0.067  1.0
  Cu  Cu2  1  0.157  0.360  0.915  1.0
  Cu  Cu3  1  0.686  0.311  0.403  1.0
  Cu  Cu4  1  0.186  0.689  0.597  1.0
  Cu  Cu5  1  0.657  0.640  0.085  1.0
  Te  Te6  1  0.029  0.131  0.607  1.0
  Te  Te7  1  0.810  0.658  0.766  1.0
  Te  Te8  1  0.310  0.342  0.234  1.0
  Te  Te9  1  0.529  0.869  0.393  1.0
  Cl  Cl10  1  0.386  0.454  0.617  1.0
  Cl  Cl11  1  0.919  0.115  0.237  1.0
  Cl  Cl12  1  0.419  0.885  0.763  1.0
  Cl  Cl13  1  0.886  0.546  0.383  1.0
  O  O14  1  0.224  0.522  0.068  1.0
  O  O15  1  0.784  0.186  0.603  1.0
  O  O16  1  0.002  0.875  0.632  1.0
  O  O17  1  0.045  0.551  0.767  1.0
  O  O18  1  0.724  0.478  0.932  1.0
  O  O19  1  0.502  0.125  0.368  1.0
  O  O20  1  0.545  0.449  0.233  1.0
  O  O21  1  0.822  0.801  0.942  1.0
  O  O22  1  0.322  0.199  0.058  1.0
  O  O23  1  0.547  0.846  0.168  1.0
  O  O24  1  0.047  0.154  0.832  1.0
  O  O25  1  0.284  0.814  0.397  1.0
[/CIF]
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The material structure described by BaCu2Te2(O3Cl)2 crystallizes in the monoclinic P2_1 space group. Ba(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(5), two equivalent O(6), and two equivalent Cl(2) atoms. 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(4), one O(5), and one O(6) atom. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one Cl(1), and one Cl(2) atom. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted T-shaped geometry to one O(2), one O(3), and one O(6) atom. In the second Te site, Te(2) is bonded in a distorted see-saw-like geometry to one O(1), one O(3), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ba(1), one Cu(1), and one Te(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ba(1), one Cu(2), and one Te(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cu(2), one Te(1), and one Te(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Cu(1), one Cu(2), and one Te(2) atom. In the fifth O site, O(5) is bonded to two equivalent Ba(1), one Cu(1), and one Te(2) atom to form distorted corner-sharing OBa2CuTe tetrahedra. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Cu(1), and one Te(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Cu(2) atom. In the second Cl site, Cl(2) is bonded in a T-shaped geometry to two equivalent Ba(1) and one Cu(2) atom. is represented by the CIF file [CIF]
data_BaCu2Te2(ClO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.575
_cell_length_b   7.528
_cell_length_c   8.377
_cell_angle_alpha   82.640
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   473.781
_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  0.659  0.136  0.933  1.0
  Ba  Ba1  1  0.159  0.864  0.067  1.0
  Cu  Cu2  1  0.157  0.360  0.915  1.0
  Cu  Cu3  1  0.686  0.311  0.403  1.0
  Cu  Cu4  1  0.186  0.689  0.597  1.0
  Cu  Cu5  1  0.657  0.640  0.085  1.0
  Te  Te6  1  0.029  0.131  0.607  1.0
  Te  Te7  1  0.810  0.658  0.766  1.0
  Te  Te8  1  0.310  0.342  0.234  1.0
  Te  Te9  1  0.529  0.869  0.393  1.0
  Cl  Cl10  1  0.386  0.454  0.617  1.0
  Cl  Cl11  1  0.919  0.115  0.237  1.0
  Cl  Cl12  1  0.419  0.885  0.763  1.0
  Cl  Cl13  1  0.886  0.546  0.383  1.0
  O  O14  1  0.224  0.522  0.068  1.0
  O  O15  1  0.784  0.186  0.603  1.0
  O  O16  1  0.002  0.875  0.632  1.0
  O  O17  1  0.045  0.551  0.767  1.0
  O  O18  1  0.724  0.478  0.932  1.0
  O  O19  1  0.502  0.125  0.368  1.0
  O  O20  1  0.545  0.449  0.233  1.0
  O  O21  1  0.822  0.801  0.942  1.0
  O  O22  1  0.322  0.199  0.058  1.0
  O  O23  1  0.547  0.846  0.168  1.0
  O  O24  1  0.047  0.154  0.832  1.0
  O  O25  1  0.284  0.814  0.397  1.0
[/CIF]
.