The structure described by AgTl2I3 crystallizes in the trigonal R-3 space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to six equivalent I(1) atoms to form distorted face-sharing AgI6 octahedra. In the second Ag site, Ag(2) is bonded to one I(2) and three equivalent I(1) atoms to form distorted face-sharing AgI4 tetrahedra. Tl(1) is bonded in a 3-coordinate geometry to one I(3) and two equivalent I(1) atoms. There are three inequivalent I sites. In the first I site, I(2) is bonded in a single-bond geometry to one Ag(2) atom. In the second I site, I(3) is bonded in an octahedral geometry to six equivalent Tl(1) atoms. In the third I site, I(1) is bonded in a 4-coordinate geometry to one Ag(1), one Ag(2), and two equivalent Tl(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tl2AgI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.147
_cell_length_b   9.147
_cell_length_c   9.147
_cell_angle_alpha   72.024
_cell_angle_beta   72.024
_cell_angle_gamma   72.024
_symmetry_Int_Tables_number   1
_cell_volume   672.797
_cell_formula_units_Z   3
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  0.554  0.327  0.888  1.0
  Tl  Tl1  1  0.888  0.554  0.327  1.0
  Tl  Tl2  1  0.327  0.888  0.554  1.0
  Tl  Tl3  1  0.446  0.673  0.112  1.0
  Tl  Tl4  1  0.112  0.446  0.673  1.0
  Tl  Tl5  1  0.673  0.112  0.446  1.0
  Ag  Ag6  1  0.000  0.000  0.000  1.0
  Ag  Ag7  1  0.844  0.844  0.844  1.0
  Ag  Ag8  1  0.156  0.156  0.156  1.0
  I  I9  1  0.669  0.910  0.151  1.0
  I  I10  1  0.151  0.669  0.910  1.0
  I  I11  1  0.910  0.151  0.669  1.0
  I  I12  1  0.331  0.090  0.849  1.0
  I  I13  1  0.849  0.331  0.090  1.0
  I  I14  1  0.090  0.849  0.331  1.0
  I  I15  1  0.705  0.705  0.705  1.0
  I  I16  1  0.295  0.295  0.295  1.0
  I  I17  1  0.500  0.500  0.500  1.0
[/CIF]
.
The structure described by AgTl2I3 crystallizes in the trigonal R-3 space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to six equivalent I(1) atoms to form distorted face-sharing AgI6 octahedra. In the second Ag site, Ag(2) is bonded to one I(2) and three equivalent I(1) atoms to form distorted face-sharing AgI4 tetrahedra. Tl(1) is bonded in a 3-coordinate geometry to one I(3) and two equivalent I(1) atoms. There are three inequivalent I sites. In the first I site, I(2) is bonded in a single-bond geometry to one Ag(2) atom. In the second I site, I(3) is bonded in an octahedral geometry to six equivalent Tl(1) atoms. In the third I site, I(1) is bonded in a 4-coordinate geometry to one Ag(1), one Ag(2), and two equivalent Tl(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tl2AgI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.147
_cell_length_b   9.147
_cell_length_c   9.147
_cell_angle_alpha   72.024
_cell_angle_beta   72.024
_cell_angle_gamma   72.024
_symmetry_Int_Tables_number   1
_cell_volume   672.797
_cell_formula_units_Z   3
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  0.554  0.327  0.888  1.0
  Tl  Tl1  1  0.888  0.554  0.327  1.0
  Tl  Tl2  1  0.327  0.888  0.554  1.0
  Tl  Tl3  1  0.446  0.673  0.112  1.0
  Tl  Tl4  1  0.112  0.446  0.673  1.0
  Tl  Tl5  1  0.673  0.112  0.446  1.0
  Ag  Ag6  1  0.000  0.000  0.000  1.0
  Ag  Ag7  1  0.844  0.844  0.844  1.0
  Ag  Ag8  1  0.156  0.156  0.156  1.0
  I  I9  1  0.669  0.910  0.151  1.0
  I  I10  1  0.151  0.669  0.910  1.0
  I  I11  1  0.910  0.151  0.669  1.0
  I  I12  1  0.331  0.090  0.849  1.0
  I  I13  1  0.849  0.331  0.090  1.0
  I  I14  1  0.090  0.849  0.331  1.0
  I  I15  1  0.705  0.705  0.705  1.0
  I  I16  1  0.295  0.295  0.295  1.0
  I  I17  1  0.500  0.500  0.500  1.0
[/CIF]
.