The material described by Cu2Te2O5Cl2 crystallizes in the tetragonal P-4 space group. Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(3), two equivalent O(2), and one Cl(1) atom. Te(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent Te(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu(1) and one Te(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cu(1) and two equivalent Te(1) atoms. Cl(1) is bonded in a single-bond geometry to one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu2Te2Cl2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.752
_cell_length_b   7.752
_cell_length_c   6.392
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   384.149
_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
  Cu  Cu0  1  0.456  0.732  0.845  1.0
  Cu  Cu1  1  0.544  0.268  0.845  1.0
  Cu  Cu2  1  0.732  0.544  0.155  1.0
  Cu  Cu3  1  0.268  0.456  0.155  1.0
  Te  Te4  1  0.647  0.173  0.362  1.0
  Te  Te5  1  0.173  0.353  0.638  1.0
  Te  Te6  1  0.827  0.647  0.638  1.0
  Te  Te7  1  0.353  0.827  0.362  1.0
  Cl  Cl8  1  0.775  0.097  0.805  1.0
  Cl  Cl9  1  0.225  0.903  0.805  1.0
  Cl  Cl10  1  0.903  0.775  0.195  1.0
  Cl  Cl11  1  0.097  0.225  0.195  1.0
  O  O12  1  0.500  0.000  0.222  1.0
  O  O13  1  0.332  0.414  0.861  1.0
  O  O14  1  0.532  0.770  0.556  1.0
  O  O15  1  0.770  0.468  0.444  1.0
  O  O16  1  0.468  0.230  0.556  1.0
  O  O17  1  0.414  0.668  0.139  1.0
  O  O18  1  0.000  0.500  0.778  1.0
  O  O19  1  0.230  0.532  0.444  1.0
  O  O20  1  0.668  0.586  0.861  1.0
  O  O21  1  0.586  0.332  0.139  1.0
[/CIF]
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The material described by Cu2Te2O5Cl2 crystallizes in the tetragonal P-4 space group. Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(3), two equivalent O(2), and one Cl(1) atom. Te(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent Te(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu(1) and one Te(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cu(1) and two equivalent Te(1) atoms. Cl(1) is bonded in a single-bond geometry to one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu2Te2Cl2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.752
_cell_length_b   7.752
_cell_length_c   6.392
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   384.149
_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
  Cu  Cu0  1  0.456  0.732  0.845  1.0
  Cu  Cu1  1  0.544  0.268  0.845  1.0
  Cu  Cu2  1  0.732  0.544  0.155  1.0
  Cu  Cu3  1  0.268  0.456  0.155  1.0
  Te  Te4  1  0.647  0.173  0.362  1.0
  Te  Te5  1  0.173  0.353  0.638  1.0
  Te  Te6  1  0.827  0.647  0.638  1.0
  Te  Te7  1  0.353  0.827  0.362  1.0
  Cl  Cl8  1  0.775  0.097  0.805  1.0
  Cl  Cl9  1  0.225  0.903  0.805  1.0
  Cl  Cl10  1  0.903  0.775  0.195  1.0
  Cl  Cl11  1  0.097  0.225  0.195  1.0
  O  O12  1  0.500  0.000  0.222  1.0
  O  O13  1  0.332  0.414  0.861  1.0
  O  O14  1  0.532  0.770  0.556  1.0
  O  O15  1  0.770  0.468  0.444  1.0
  O  O16  1  0.468  0.230  0.556  1.0
  O  O17  1  0.414  0.668  0.139  1.0
  O  O18  1  0.000  0.500  0.778  1.0
  O  O19  1  0.230  0.532  0.444  1.0
  O  O20  1  0.668  0.586  0.861  1.0
  O  O21  1  0.586  0.332  0.139  1.0
[/CIF]
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