The crystal structure described by KTlI3 is (Cubic) Perovskite structured and crystallizes in the cubic Fm-3m space group. The structure consists of eight 7440-09-7 atoms inside a TlI3 framework. In the TlI3 framework, there are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to six equivalent I(1) atoms to form corner-sharing TlI6 octahedra. The corner-sharing octahedra are not tilted. In the second Tl site, Tl(2) is bonded to six equivalent I(1) atoms to form corner-sharing TlI6 octahedra. The corner-sharing octahedra are not tilted. I(1) is bonded in a linear geometry to one Tl(1) and one Tl(2) atom. is represented by the CIF file [CIF]
data_KTlI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.274
_cell_length_b   6.274
_cell_length_c   6.274
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   246.972
_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
  I  I0  1  0.000  0.000  0.500  1.0
  I  I1  1  0.500  1.000  0.000  1.0
  I  I2  1  0.000  0.500  0.000  1.0
  K  K3  1  0.500  0.500  0.500  1.0
  Tl  Tl4  1  0.000  0.000  0.000  1.0
[/CIF]
.
The crystal structure described by KTlI3 is (Cubic) Perovskite structured and crystallizes in the cubic Fm-3m space group. The structure consists of eight 7440-09-7 atoms inside a TlI3 framework. In the TlI3 framework, there are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to six equivalent I(1) atoms to form corner-sharing TlI6 octahedra. The corner-sharing octahedra are not tilted. In the second Tl site, Tl(2) is bonded to six equivalent I(1) atoms to form corner-sharing TlI6 octahedra. The corner-sharing octahedra are not tilted. I(1) is bonded in a linear geometry to one Tl(1) and one Tl(2) atom. is represented by the CIF file [CIF]
data_KTlI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.274
_cell_length_b   6.274
_cell_length_c   6.274
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   246.972
_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
  I  I0  1  0.000  0.000  0.500  1.0
  I  I1  1  0.500  1.000  0.000  1.0
  I  I2  1  0.000  0.500  0.000  1.0
  K  K3  1  0.500  0.500  0.500  1.0
  Tl  Tl4  1  0.000  0.000  0.000  1.0
[/CIF]
.