The structure described by Cu3Tl2(SeO3)6 crystallizes in the triclinic P-1 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(5), one O(6), one O(7), and two equivalent O(1) atoms to form distorted edge-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(4) atoms. Tl(1) is bonded in a 7-coordinate geometry to one O(3), one O(5), one O(6), one O(8), one O(9), and two equivalent O(2) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(3), and one O(6) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(4), one O(8), and one O(9) atom. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one O(2), one O(5), and one O(7) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Tl(1) and one Se(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cu(2), one Tl(1), and one Se(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(2) and one Se(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Cu(1), one Tl(1), and one Se(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Cu(1), one Tl(1), and one Se(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one Se(3) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one Tl(1) and one Se(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Tl(1) and one Se(2) atom. is represented by the CIF card [CIF]
data_Tl2Cu3(SeO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.852
_cell_length_b   9.829
_cell_length_c   10.212
_cell_angle_alpha   67.863
_cell_angle_beta   82.132
_cell_angle_gamma   79.477
_symmetry_Int_Tables_number   1
_cell_volume   442.312
_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
  Tl  Tl0  1  0.447  0.316  0.678  1.0
  Tl  Tl1  1  0.553  0.684  0.322  1.0
  Cu  Cu2  1  0.206  0.530  0.087  1.0
  Cu  Cu3  1  0.794  0.470  0.913  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Se  Se5  1  0.625  0.784  0.962  1.0
  Se  Se6  1  0.913  0.924  0.350  1.0
  Se  Se7  1  0.087  0.076  0.650  1.0
  Se  Se8  1  0.311  0.643  0.679  1.0
  Se  Se9  1  0.689  0.357  0.321  1.0
  Se  Se10  1  0.375  0.216  0.038  1.0
  O  O11  1  0.901  0.641  0.958  1.0
  O  O12  1  0.574  0.578  0.577  1.0
  O  O13  1  0.262  0.146  0.923  1.0
  O  O14  1  0.978  0.036  0.174  1.0
  O  O15  1  0.099  0.359  0.042  1.0
  O  O16  1  0.426  0.422  0.423  1.0
  O  O17  1  0.870  0.510  0.269  1.0
  O  O18  1  0.375  0.696  0.095  1.0
  O  O19  1  0.738  0.854  0.077  1.0
  O  O20  1  0.484  0.619  0.825  1.0
  O  O21  1  0.432  0.106  0.637  1.0
  O  O22  1  0.516  0.381  0.175  1.0
  O  O23  1  0.929  0.253  0.635  1.0
  O  O24  1  0.568  0.894  0.363  1.0
  O  O25  1  0.071  0.747  0.365  1.0
  O  O26  1  0.022  0.964  0.826  1.0
  O  O27  1  0.130  0.490  0.731  1.0
  O  O28  1  0.625  0.304  0.905  1.0
[/CIF]
.
The structure described by Cu3Tl2(SeO3)6 crystallizes in the triclinic P-1 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(5), one O(6), one O(7), and two equivalent O(1) atoms to form distorted edge-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(4) atoms. Tl(1) is bonded in a 7-coordinate geometry to one O(3), one O(5), one O(6), one O(8), one O(9), and two equivalent O(2) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(3), and one O(6) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(4), one O(8), and one O(9) atom. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one O(2), one O(5), and one O(7) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Tl(1) and one Se(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cu(2), one Tl(1), and one Se(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(2) and one Se(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Cu(1), one Tl(1), and one Se(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Cu(1), one Tl(1), and one Se(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one Se(3) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one Tl(1) and one Se(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Tl(1) and one Se(2) atom. is represented by the CIF card [CIF]
data_Tl2Cu3(SeO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.852
_cell_length_b   9.829
_cell_length_c   10.212
_cell_angle_alpha   67.863
_cell_angle_beta   82.132
_cell_angle_gamma   79.477
_symmetry_Int_Tables_number   1
_cell_volume   442.312
_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
  Tl  Tl0  1  0.447  0.316  0.678  1.0
  Tl  Tl1  1  0.553  0.684  0.322  1.0
  Cu  Cu2  1  0.206  0.530  0.087  1.0
  Cu  Cu3  1  0.794  0.470  0.913  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Se  Se5  1  0.625  0.784  0.962  1.0
  Se  Se6  1  0.913  0.924  0.350  1.0
  Se  Se7  1  0.087  0.076  0.650  1.0
  Se  Se8  1  0.311  0.643  0.679  1.0
  Se  Se9  1  0.689  0.357  0.321  1.0
  Se  Se10  1  0.375  0.216  0.038  1.0
  O  O11  1  0.901  0.641  0.958  1.0
  O  O12  1  0.574  0.578  0.577  1.0
  O  O13  1  0.262  0.146  0.923  1.0
  O  O14  1  0.978  0.036  0.174  1.0
  O  O15  1  0.099  0.359  0.042  1.0
  O  O16  1  0.426  0.422  0.423  1.0
  O  O17  1  0.870  0.510  0.269  1.0
  O  O18  1  0.375  0.696  0.095  1.0
  O  O19  1  0.738  0.854  0.077  1.0
  O  O20  1  0.484  0.619  0.825  1.0
  O  O21  1  0.432  0.106  0.637  1.0
  O  O22  1  0.516  0.381  0.175  1.0
  O  O23  1  0.929  0.253  0.635  1.0
  O  O24  1  0.568  0.894  0.363  1.0
  O  O25  1  0.071  0.747  0.365  1.0
  O  O26  1  0.022  0.964  0.826  1.0
  O  O27  1  0.130  0.490  0.731  1.0
  O  O28  1  0.625  0.304  0.905  1.0
[/CIF]
.