The crystal structure described by Cu4Te5O12Cl4 crystallizes in the tetragonal P4/n space group. Cu(1) is bonded in a 5-coordinate geometry to one O(1), three equivalent O(3), and one Cl(1) atom. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the second Te site, Te(2) is bonded in a distorted trigonal pyramidal geometry to four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and two equivalent Te(1) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Te(1) and one Te(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Cu(1) and one Te(1) atom. Cl(1) is bonded in a single-bond geometry to one Cu(1) atom. is represented by the CIF card [CIF]
data_Cu4Te5(ClO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.567
_cell_length_b   11.567
_cell_length_c   6.396
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   855.762
_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  0.157  0.005  0.350  1.0
  Cu  Cu1  1  0.005  0.843  0.650  1.0
  Cu  Cu2  1  0.995  0.157  0.650  1.0
  Cu  Cu3  1  0.505  0.343  0.350  1.0
  Cu  Cu4  1  0.843  0.995  0.350  1.0
  Cu  Cu5  1  0.343  0.495  0.650  1.0
  Cu  Cu6  1  0.657  0.505  0.650  1.0
  Cu  Cu7  1  0.495  0.657  0.350  1.0
  Te  Te8  1  0.229  0.073  0.871  1.0
  Te  Te9  1  0.000  0.500  0.367  1.0
  Te  Te10  1  0.500  0.000  0.633  1.0
  Te  Te11  1  0.771  0.927  0.871  1.0
  Te  Te12  1  0.271  0.427  0.129  1.0
  Te  Te13  1  0.729  0.573  0.129  1.0
  Te  Te14  1  0.573  0.271  0.871  1.0
  Te  Te15  1  0.427  0.729  0.871  1.0
  Te  Te16  1  0.927  0.229  0.129  1.0
  Te  Te17  1  0.073  0.771  0.129  1.0
  Cl  Cl18  1  0.367  0.804  0.327  1.0
  Cl  Cl19  1  0.633  0.196  0.327  1.0
  Cl  Cl20  1  0.696  0.867  0.327  1.0
  Cl  Cl21  1  0.196  0.367  0.673  1.0
  Cl  Cl22  1  0.804  0.633  0.673  1.0
  Cl  Cl23  1  0.133  0.696  0.673  1.0
  Cl  Cl24  1  0.304  0.133  0.327  1.0
  Cl  Cl25  1  0.867  0.304  0.673  1.0
  O  O26  1  0.958  0.827  0.941  1.0
  O  O27  1  0.538  0.846  0.769  1.0
  O  O28  1  0.122  0.036  0.645  1.0
  O  O29  1  0.378  0.464  0.355  1.0
  O  O30  1  0.962  0.654  0.231  1.0
  O  O31  1  0.327  0.542  0.941  1.0
  O  O32  1  0.673  0.458  0.941  1.0
  O  O33  1  0.042  0.173  0.941  1.0
  O  O34  1  0.036  0.878  0.355  1.0
  O  O35  1  0.154  0.538  0.231  1.0
  O  O36  1  0.878  0.964  0.645  1.0
  O  O37  1  0.346  0.962  0.769  1.0
  O  O38  1  0.846  0.462  0.231  1.0
  O  O39  1  0.458  0.327  0.059  1.0
  O  O40  1  0.542  0.673  0.059  1.0
  O  O41  1  0.038  0.346  0.231  1.0
  O  O42  1  0.462  0.154  0.769  1.0
  O  O43  1  0.654  0.038  0.769  1.0
  O  O44  1  0.536  0.378  0.645  1.0
  O  O45  1  0.622  0.536  0.355  1.0
  O  O46  1  0.827  0.042  0.059  1.0
  O  O47  1  0.964  0.122  0.355  1.0
  O  O48  1  0.464  0.622  0.645  1.0
  O  O49  1  0.173  0.958  0.059  1.0
[/CIF]
.
The crystal structure described by Cu4Te5O12Cl4 crystallizes in the tetragonal P4/n space group. Cu(1) is bonded in a 5-coordinate geometry to one O(1), three equivalent O(3), and one Cl(1) atom. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the second Te site, Te(2) is bonded in a distorted trigonal pyramidal geometry to four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and two equivalent Te(1) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Te(1) and one Te(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Cu(1) and one Te(1) atom. Cl(1) is bonded in a single-bond geometry to one Cu(1) atom. is represented by the CIF card [CIF]
data_Cu4Te5(ClO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.567
_cell_length_b   11.567
_cell_length_c   6.396
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   855.762
_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  0.157  0.005  0.350  1.0
  Cu  Cu1  1  0.005  0.843  0.650  1.0
  Cu  Cu2  1  0.995  0.157  0.650  1.0
  Cu  Cu3  1  0.505  0.343  0.350  1.0
  Cu  Cu4  1  0.843  0.995  0.350  1.0
  Cu  Cu5  1  0.343  0.495  0.650  1.0
  Cu  Cu6  1  0.657  0.505  0.650  1.0
  Cu  Cu7  1  0.495  0.657  0.350  1.0
  Te  Te8  1  0.229  0.073  0.871  1.0
  Te  Te9  1  0.000  0.500  0.367  1.0
  Te  Te10  1  0.500  0.000  0.633  1.0
  Te  Te11  1  0.771  0.927  0.871  1.0
  Te  Te12  1  0.271  0.427  0.129  1.0
  Te  Te13  1  0.729  0.573  0.129  1.0
  Te  Te14  1  0.573  0.271  0.871  1.0
  Te  Te15  1  0.427  0.729  0.871  1.0
  Te  Te16  1  0.927  0.229  0.129  1.0
  Te  Te17  1  0.073  0.771  0.129  1.0
  Cl  Cl18  1  0.367  0.804  0.327  1.0
  Cl  Cl19  1  0.633  0.196  0.327  1.0
  Cl  Cl20  1  0.696  0.867  0.327  1.0
  Cl  Cl21  1  0.196  0.367  0.673  1.0
  Cl  Cl22  1  0.804  0.633  0.673  1.0
  Cl  Cl23  1  0.133  0.696  0.673  1.0
  Cl  Cl24  1  0.304  0.133  0.327  1.0
  Cl  Cl25  1  0.867  0.304  0.673  1.0
  O  O26  1  0.958  0.827  0.941  1.0
  O  O27  1  0.538  0.846  0.769  1.0
  O  O28  1  0.122  0.036  0.645  1.0
  O  O29  1  0.378  0.464  0.355  1.0
  O  O30  1  0.962  0.654  0.231  1.0
  O  O31  1  0.327  0.542  0.941  1.0
  O  O32  1  0.673  0.458  0.941  1.0
  O  O33  1  0.042  0.173  0.941  1.0
  O  O34  1  0.036  0.878  0.355  1.0
  O  O35  1  0.154  0.538  0.231  1.0
  O  O36  1  0.878  0.964  0.645  1.0
  O  O37  1  0.346  0.962  0.769  1.0
  O  O38  1  0.846  0.462  0.231  1.0
  O  O39  1  0.458  0.327  0.059  1.0
  O  O40  1  0.542  0.673  0.059  1.0
  O  O41  1  0.038  0.346  0.231  1.0
  O  O42  1  0.462  0.154  0.769  1.0
  O  O43  1  0.654  0.038  0.769  1.0
  O  O44  1  0.536  0.378  0.645  1.0
  O  O45  1  0.622  0.536  0.355  1.0
  O  O46  1  0.827  0.042  0.059  1.0
  O  O47  1  0.964  0.122  0.355  1.0
  O  O48  1  0.464  0.622  0.645  1.0
  O  O49  1  0.173  0.958  0.059  1.0
[/CIF]
.