The structure described by Tl4CuTeO6 crystallizes in the triclinic P-1 space group. Cu(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(6), and two equivalent O(5) atoms. There are four inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 3-coordinate geometry to one O(6) and two equivalent O(1) atoms. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one O(3), one O(4), and one O(5) atom. In the third Tl site, Tl(3) is bonded in a 2-coordinate geometry to two equivalent O(2) atoms. In the fourth Tl site, Tl(4) is bonded in a 2-coordinate geometry to one O(1) and one O(6) atom. Te(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Tl(4), two equivalent Tl(1), and one Te(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to two equivalent Tl(3) and one Te(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Cu(1), one Tl(2), and one Te(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Cu(1), one Tl(2), and one Te(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Cu(1), one Tl(2), and one Te(1) atom. In the sixth O site, O(6) is bonded in a tetrahedral geometry to one Cu(1), one Tl(1), one Tl(4), and one Te(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tl4CuTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.048
_cell_length_b   8.931
_cell_length_c   9.439
_cell_angle_alpha   67.370
_cell_angle_beta   73.238
_cell_angle_gamma   80.613
_symmetry_Int_Tables_number   1
_cell_volume   449.822
_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
  Tl  Tl0  1  0.920  0.118  0.801  1.0
  Tl  Tl1  1  0.080  0.882  0.199  1.0
  Tl  Tl2  1  0.863  0.262  0.332  1.0
  Tl  Tl3  1  0.137  0.738  0.668  1.0
  Tl  Tl4  1  0.268  0.393  0.476  1.0
  Tl  Tl5  1  0.732  0.607  0.524  1.0
  Tl  Tl6  1  0.514  0.929  0.771  1.0
  Tl  Tl7  1  0.486  0.071  0.229  1.0
  Cu  Cu8  1  0.773  0.449  0.942  1.0
  Cu  Cu9  1  0.227  0.551  0.058  1.0
  Te  Te10  1  0.341  0.335  0.867  1.0
  Te  Te11  1  0.659  0.665  0.133  1.0
  O  O12  1  0.265  0.115  0.921  1.0
  O  O13  1  0.735  0.885  0.079  1.0
  O  O14  1  0.529  0.354  0.657  1.0
  O  O15  1  0.471  0.646  0.343  1.0
  O  O16  1  0.836  0.666  0.921  1.0
  O  O17  1  0.164  0.334  0.079  1.0
  O  O18  1  0.935  0.572  0.223  1.0
  O  O19  1  0.065  0.428  0.777  1.0
  O  O20  1  0.406  0.557  0.839  1.0
  O  O21  1  0.594  0.443  0.161  1.0
  O  O22  1  0.627  0.261  0.951  1.0
  O  O23  1  0.373  0.739  0.049  1.0
[/CIF]
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The structure described by Tl4CuTeO6 crystallizes in the triclinic P-1 space group. Cu(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(6), and two equivalent O(5) atoms. There are four inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 3-coordinate geometry to one O(6) and two equivalent O(1) atoms. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one O(3), one O(4), and one O(5) atom. In the third Tl site, Tl(3) is bonded in a 2-coordinate geometry to two equivalent O(2) atoms. In the fourth Tl site, Tl(4) is bonded in a 2-coordinate geometry to one O(1) and one O(6) atom. Te(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Tl(4), two equivalent Tl(1), and one Te(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to two equivalent Tl(3) and one Te(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Cu(1), one Tl(2), and one Te(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Cu(1), one Tl(2), and one Te(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Cu(1), one Tl(2), and one Te(1) atom. In the sixth O site, O(6) is bonded in a tetrahedral geometry to one Cu(1), one Tl(1), one Tl(4), and one Te(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tl4CuTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.048
_cell_length_b   8.931
_cell_length_c   9.439
_cell_angle_alpha   67.370
_cell_angle_beta   73.238
_cell_angle_gamma   80.613
_symmetry_Int_Tables_number   1
_cell_volume   449.822
_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
  Tl  Tl0  1  0.920  0.118  0.801  1.0
  Tl  Tl1  1  0.080  0.882  0.199  1.0
  Tl  Tl2  1  0.863  0.262  0.332  1.0
  Tl  Tl3  1  0.137  0.738  0.668  1.0
  Tl  Tl4  1  0.268  0.393  0.476  1.0
  Tl  Tl5  1  0.732  0.607  0.524  1.0
  Tl  Tl6  1  0.514  0.929  0.771  1.0
  Tl  Tl7  1  0.486  0.071  0.229  1.0
  Cu  Cu8  1  0.773  0.449  0.942  1.0
  Cu  Cu9  1  0.227  0.551  0.058  1.0
  Te  Te10  1  0.341  0.335  0.867  1.0
  Te  Te11  1  0.659  0.665  0.133  1.0
  O  O12  1  0.265  0.115  0.921  1.0
  O  O13  1  0.735  0.885  0.079  1.0
  O  O14  1  0.529  0.354  0.657  1.0
  O  O15  1  0.471  0.646  0.343  1.0
  O  O16  1  0.836  0.666  0.921  1.0
  O  O17  1  0.164  0.334  0.079  1.0
  O  O18  1  0.935  0.572  0.223  1.0
  O  O19  1  0.065  0.428  0.777  1.0
  O  O20  1  0.406  0.557  0.839  1.0
  O  O21  1  0.594  0.443  0.161  1.0
  O  O22  1  0.627  0.261  0.951  1.0
  O  O23  1  0.373  0.739  0.049  1.0
[/CIF]
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