The material structure described by Cu2Tl(AsO4)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(4), one O(6), and one O(7) atom. In the second Cu site, Cu(2) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(7) atom to form distorted CuO5 trigonal bipyramids that share corners with two equivalent As(2)O4 tetrahedra and corners with three equivalent As(1)O4 tetrahedra. Tl(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(8) atom. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 tetrahedra that share corners with three equivalent Cu(2)O5 trigonal bipyramids. In the second As site, As(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form AsO4 tetrahedra that share corners with two equivalent Cu(2)O5 trigonal bipyramids. There are eight inequivalent O sites. In the first O site, O(4) is bonded in a trigonal planar geometry to one Cu(1), one Cu(2), and one As(1) atom. In the second O site, O(5) is bonded in a water-like geometry to one Cu(2) and one As(2) atom. In the third O site, O(6) is bonded in a water-like geometry to one Cu(1) and one As(2) atom. In the fourth O site, O(7) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one As(2) atom. In the fifth O site, O(8) is bonded in a distorted single-bond geometry to one Tl(1) and one As(2) atom. In the sixth O site, O(1) is bonded in a distorted trigonal planar geometry to one Cu(2), one Tl(1), and one As(1) atom. In the seventh O site, O(2) is bonded in a 2-coordinate geometry to one Cu(2), one Tl(1), and one As(1) atom. In the eighth O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(1) and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TlCu2(AsO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.211
_cell_length_b   6.392
_cell_length_c   10.602
_cell_angle_alpha   81.862
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   752.104
_cell_formula_units_Z   4
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  0.416  0.731  0.023  1.0
  Tl  Tl1  1  0.916  0.269  0.477  1.0
  Tl  Tl2  1  0.584  0.269  0.977  1.0
  Tl  Tl3  1  0.084  0.731  0.523  1.0
  Cu  Cu4  1  0.957  0.590  0.158  1.0
  Cu  Cu5  1  0.457  0.410  0.342  1.0
  Cu  Cu6  1  0.043  0.410  0.842  1.0
  Cu  Cu7  1  0.543  0.590  0.658  1.0
  Cu  Cu8  1  0.156  0.943  0.178  1.0
  Cu  Cu9  1  0.656  0.057  0.322  1.0
  Cu  Cu10  1  0.844  0.057  0.822  1.0
  Cu  Cu11  1  0.344  0.943  0.678  1.0
  As  As12  1  0.387  0.882  0.376  1.0
  As  As13  1  0.887  0.118  0.124  1.0
  As  As14  1  0.613  0.118  0.624  1.0
  As  As15  1  0.113  0.882  0.876  1.0
  As  As16  1  0.708  0.632  0.237  1.0
  As  As17  1  0.208  0.368  0.263  1.0
  As  As18  1  0.292  0.368  0.763  1.0
  As  As19  1  0.792  0.632  0.737  1.0
  O  O20  1  0.296  0.891  0.506  1.0
  O  O21  1  0.796  0.109  0.994  1.0
  O  O22  1  0.704  0.109  0.494  1.0
  O  O23  1  0.204  0.891  0.006  1.0
  O  O24  1  0.315  0.868  0.235  1.0
  O  O25  1  0.815  0.132  0.265  1.0
  O  O26  1  0.685  0.132  0.765  1.0
  O  O27  1  0.185  0.868  0.735  1.0
  O  O28  1  0.485  0.671  0.402  1.0
  O  O29  1  0.985  0.329  0.098  1.0
  O  O30  1  0.515  0.329  0.598  1.0
  O  O31  1  0.015  0.671  0.902  1.0
  O  O32  1  0.486  0.102  0.356  1.0
  O  O33  1  0.986  0.898  0.144  1.0
  O  O34  1  0.514  0.898  0.644  1.0
  O  O35  1  0.014  0.102  0.856  1.0
  O  O36  1  0.632  0.872  0.198  1.0
  O  O37  1  0.132  0.128  0.302  1.0
  O  O38  1  0.368  0.128  0.802  1.0
  O  O39  1  0.868  0.872  0.698  1.0
  O  O40  1  0.797  0.603  0.103  1.0
  O  O41  1  0.297  0.397  0.397  1.0
  O  O42  1  0.203  0.397  0.897  1.0
  O  O43  1  0.703  0.603  0.603  1.0
  O  O44  1  0.600  0.430  0.244  1.0
  O  O45  1  0.100  0.570  0.256  1.0
  O  O46  1  0.400  0.570  0.756  1.0
  O  O47  1  0.900  0.430  0.744  1.0
  O  O48  1  0.805  0.614  0.360  1.0
  O  O49  1  0.305  0.386  0.140  1.0
  O  O50  1  0.195  0.386  0.640  1.0
  O  O51  1  0.695  0.614  0.860  1.0
[/CIF]
.
The material structure described by Cu2Tl(AsO4)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(4), one O(6), and one O(7) atom. In the second Cu site, Cu(2) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(7) atom to form distorted CuO5 trigonal bipyramids that share corners with two equivalent As(2)O4 tetrahedra and corners with three equivalent As(1)O4 tetrahedra. Tl(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(8) atom. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 tetrahedra that share corners with three equivalent Cu(2)O5 trigonal bipyramids. In the second As site, As(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form AsO4 tetrahedra that share corners with two equivalent Cu(2)O5 trigonal bipyramids. There are eight inequivalent O sites. In the first O site, O(4) is bonded in a trigonal planar geometry to one Cu(1), one Cu(2), and one As(1) atom. In the second O site, O(5) is bonded in a water-like geometry to one Cu(2) and one As(2) atom. In the third O site, O(6) is bonded in a water-like geometry to one Cu(1) and one As(2) atom. In the fourth O site, O(7) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one As(2) atom. In the fifth O site, O(8) is bonded in a distorted single-bond geometry to one Tl(1) and one As(2) atom. In the sixth O site, O(1) is bonded in a distorted trigonal planar geometry to one Cu(2), one Tl(1), and one As(1) atom. In the seventh O site, O(2) is bonded in a 2-coordinate geometry to one Cu(2), one Tl(1), and one As(1) atom. In the eighth O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(1) and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TlCu2(AsO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.211
_cell_length_b   6.392
_cell_length_c   10.602
_cell_angle_alpha   81.862
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   752.104
_cell_formula_units_Z   4
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  0.416  0.731  0.023  1.0
  Tl  Tl1  1  0.916  0.269  0.477  1.0
  Tl  Tl2  1  0.584  0.269  0.977  1.0
  Tl  Tl3  1  0.084  0.731  0.523  1.0
  Cu  Cu4  1  0.957  0.590  0.158  1.0
  Cu  Cu5  1  0.457  0.410  0.342  1.0
  Cu  Cu6  1  0.043  0.410  0.842  1.0
  Cu  Cu7  1  0.543  0.590  0.658  1.0
  Cu  Cu8  1  0.156  0.943  0.178  1.0
  Cu  Cu9  1  0.656  0.057  0.322  1.0
  Cu  Cu10  1  0.844  0.057  0.822  1.0
  Cu  Cu11  1  0.344  0.943  0.678  1.0
  As  As12  1  0.387  0.882  0.376  1.0
  As  As13  1  0.887  0.118  0.124  1.0
  As  As14  1  0.613  0.118  0.624  1.0
  As  As15  1  0.113  0.882  0.876  1.0
  As  As16  1  0.708  0.632  0.237  1.0
  As  As17  1  0.208  0.368  0.263  1.0
  As  As18  1  0.292  0.368  0.763  1.0
  As  As19  1  0.792  0.632  0.737  1.0
  O  O20  1  0.296  0.891  0.506  1.0
  O  O21  1  0.796  0.109  0.994  1.0
  O  O22  1  0.704  0.109  0.494  1.0
  O  O23  1  0.204  0.891  0.006  1.0
  O  O24  1  0.315  0.868  0.235  1.0
  O  O25  1  0.815  0.132  0.265  1.0
  O  O26  1  0.685  0.132  0.765  1.0
  O  O27  1  0.185  0.868  0.735  1.0
  O  O28  1  0.485  0.671  0.402  1.0
  O  O29  1  0.985  0.329  0.098  1.0
  O  O30  1  0.515  0.329  0.598  1.0
  O  O31  1  0.015  0.671  0.902  1.0
  O  O32  1  0.486  0.102  0.356  1.0
  O  O33  1  0.986  0.898  0.144  1.0
  O  O34  1  0.514  0.898  0.644  1.0
  O  O35  1  0.014  0.102  0.856  1.0
  O  O36  1  0.632  0.872  0.198  1.0
  O  O37  1  0.132  0.128  0.302  1.0
  O  O38  1  0.368  0.128  0.802  1.0
  O  O39  1  0.868  0.872  0.698  1.0
  O  O40  1  0.797  0.603  0.103  1.0
  O  O41  1  0.297  0.397  0.397  1.0
  O  O42  1  0.203  0.397  0.897  1.0
  O  O43  1  0.703  0.603  0.603  1.0
  O  O44  1  0.600  0.430  0.244  1.0
  O  O45  1  0.100  0.570  0.256  1.0
  O  O46  1  0.400  0.570  0.756  1.0
  O  O47  1  0.900  0.430  0.744  1.0
  O  O48  1  0.805  0.614  0.360  1.0
  O  O49  1  0.305  0.386  0.140  1.0
  O  O50  1  0.195  0.386  0.640  1.0
  O  O51  1  0.695  0.614  0.860  1.0
[/CIF]
.