The compound described by NaTl3Cu4Te2O12 crystallizes in the monoclinic C2/m space group. Na(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form NaO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. Cu(1) is bonded in a 4-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted bent 150 degrees geometry to two equivalent O(1) atoms. In the second Tl site, Tl(2) is bonded in a linear geometry to two equivalent O(3) atoms. Te(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form TeO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra and  an edgeedge with one Na(1)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Cu(1), one 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 Cu(1) and one Te(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Cu(1), one Tl(2), and one Te(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Na(1) and one Te(1) atom. is represented by the CIF file [CIF]
data_NaTl3Cu4(TeO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.110
_cell_length_b   8.110
_cell_length_c   5.315
_cell_angle_alpha   78.140
_cell_angle_beta   78.140
_cell_angle_gamma   71.600
_symmetry_Int_Tables_number   1
_cell_volume   320.868
_cell_formula_units_Z   1
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
  Na  Na0  1  0.000  0.000  0.000  1.0
  Tl  Tl1  1  0.749  0.251  0.500  1.0
  Tl  Tl2  1  0.251  0.749  0.500  1.0
  Tl  Tl3  1  0.500  0.500  0.000  1.0
  Cu  Cu4  1  0.073  0.401  0.744  1.0
  Cu  Cu5  1  0.401  0.073  0.744  1.0
  Cu  Cu6  1  0.927  0.599  0.256  1.0
  Cu  Cu7  1  0.599  0.927  0.256  1.0
  Te  Te8  1  0.214  0.214  0.239  1.0
  Te  Te9  1  0.786  0.786  0.761  1.0
  O  O10  1  0.991  0.293  0.098  1.0
  O  O11  1  0.293  0.991  0.098  1.0
  O  O12  1  0.009  0.707  0.902  1.0
  O  O13  1  0.707  0.009  0.902  1.0
  O  O14  1  0.160  0.448  0.354  1.0
  O  O15  1  0.448  0.160  0.354  1.0
  O  O16  1  0.840  0.552  0.646  1.0
  O  O17  1  0.552  0.840  0.646  1.0
  O  O18  1  0.305  0.305  0.869  1.0
  O  O19  1  0.695  0.695  0.131  1.0
  O  O20  1  0.114  0.114  0.569  1.0
  O  O21  1  0.886  0.886  0.431  1.0
[/CIF]
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The compound described by NaTl3Cu4Te2O12 crystallizes in the monoclinic C2/m space group. Na(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form NaO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. Cu(1) is bonded in a 4-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted bent 150 degrees geometry to two equivalent O(1) atoms. In the second Tl site, Tl(2) is bonded in a linear geometry to two equivalent O(3) atoms. Te(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form TeO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra and  an edgeedge with one Na(1)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Cu(1), one 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 Cu(1) and one Te(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Cu(1), one Tl(2), and one Te(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Na(1) and one Te(1) atom. is represented by the CIF file [CIF]
data_NaTl3Cu4(TeO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.110
_cell_length_b   8.110
_cell_length_c   5.315
_cell_angle_alpha   78.140
_cell_angle_beta   78.140
_cell_angle_gamma   71.600
_symmetry_Int_Tables_number   1
_cell_volume   320.868
_cell_formula_units_Z   1
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
  Na  Na0  1  0.000  0.000  0.000  1.0
  Tl  Tl1  1  0.749  0.251  0.500  1.0
  Tl  Tl2  1  0.251  0.749  0.500  1.0
  Tl  Tl3  1  0.500  0.500  0.000  1.0
  Cu  Cu4  1  0.073  0.401  0.744  1.0
  Cu  Cu5  1  0.401  0.073  0.744  1.0
  Cu  Cu6  1  0.927  0.599  0.256  1.0
  Cu  Cu7  1  0.599  0.927  0.256  1.0
  Te  Te8  1  0.214  0.214  0.239  1.0
  Te  Te9  1  0.786  0.786  0.761  1.0
  O  O10  1  0.991  0.293  0.098  1.0
  O  O11  1  0.293  0.991  0.098  1.0
  O  O12  1  0.009  0.707  0.902  1.0
  O  O13  1  0.707  0.009  0.902  1.0
  O  O14  1  0.160  0.448  0.354  1.0
  O  O15  1  0.448  0.160  0.354  1.0
  O  O16  1  0.840  0.552  0.646  1.0
  O  O17  1  0.552  0.840  0.646  1.0
  O  O18  1  0.305  0.305  0.869  1.0
  O  O19  1  0.695  0.695  0.131  1.0
  O  O20  1  0.114  0.114  0.569  1.0
  O  O21  1  0.886  0.886  0.431  1.0
[/CIF]
.