The material described by Tl2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to six equivalent O(1) atoms to form a mixture of edge and corner-sharing TlO6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second Tl site, Tl(2) is bonded to six equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing TlO6 octahedra. The corner-sharing octahedral tilt angles range from 54-56°. O(1) is bonded to one Tl(1) and three equivalent Tl(2) atoms to form a mixture of edge and corner-sharing OTl4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tl2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.195
_cell_length_b   9.195
_cell_length_c   9.195
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   598.425
_cell_formula_units_Z   8
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  0.500  0.500  0.500  1.0
  Tl  Tl1  1  0.000  0.000  0.500  1.0
  Tl  Tl2  1  0.500  0.000  0.000  1.0
  Tl  Tl3  1  0.000  0.500  0.000  1.0
  Tl  Tl4  1  0.250  0.217  0.967  1.0
  Tl  Tl5  1  0.283  0.533  0.750  1.0
  Tl  Tl6  1  0.533  0.750  0.283  1.0
  Tl  Tl7  1  0.217  0.967  0.250  1.0
  Tl  Tl8  1  0.967  0.250  0.217  1.0
  Tl  Tl9  1  0.750  0.283  0.533  1.0
  Tl  Tl10  1  0.750  0.783  0.033  1.0
  Tl  Tl11  1  0.717  0.467  0.250  1.0
  Tl  Tl12  1  0.467  0.250  0.717  1.0
  Tl  Tl13  1  0.783  0.033  0.750  1.0
  Tl  Tl14  1  0.033  0.750  0.783  1.0
  Tl  Tl15  1  0.250  0.717  0.467  1.0
  O  O16  1  0.538  0.772  0.543  1.0
  O  O17  1  0.995  0.957  0.729  1.0
  O  O18  1  0.266  0.771  0.728  1.0
  O  O19  1  0.505  0.234  0.962  1.0
  O  O20  1  0.957  0.729  0.995  1.0
  O  O21  1  0.728  0.266  0.771  1.0
  O  O22  1  0.234  0.962  0.505  1.0
  O  O23  1  0.543  0.538  0.772  1.0
  O  O24  1  0.772  0.543  0.538  1.0
  O  O25  1  0.729  0.995  0.957  1.0
  O  O26  1  0.771  0.728  0.266  1.0
  O  O27  1  0.962  0.505  0.234  1.0
  O  O28  1  0.462  0.228  0.457  1.0
  O  O29  1  0.005  0.043  0.271  1.0
  O  O30  1  0.734  0.229  0.272  1.0
  O  O31  1  0.495  0.766  0.038  1.0
  O  O32  1  0.043  0.271  0.005  1.0
  O  O33  1  0.272  0.734  0.229  1.0
  O  O34  1  0.766  0.038  0.495  1.0
  O  O35  1  0.457  0.462  0.228  1.0
  O  O36  1  0.228  0.457  0.462  1.0
  O  O37  1  0.271  0.005  0.043  1.0
  O  O38  1  0.229  0.272  0.734  1.0
  O  O39  1  0.038  0.495  0.766  1.0
[/CIF]
.
The material described by Tl2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to six equivalent O(1) atoms to form a mixture of edge and corner-sharing TlO6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second Tl site, Tl(2) is bonded to six equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing TlO6 octahedra. The corner-sharing octahedral tilt angles range from 54-56°. O(1) is bonded to one Tl(1) and three equivalent Tl(2) atoms to form a mixture of edge and corner-sharing OTl4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tl2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.195
_cell_length_b   9.195
_cell_length_c   9.195
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   598.425
_cell_formula_units_Z   8
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  0.500  0.500  0.500  1.0
  Tl  Tl1  1  0.000  0.000  0.500  1.0
  Tl  Tl2  1  0.500  0.000  0.000  1.0
  Tl  Tl3  1  0.000  0.500  0.000  1.0
  Tl  Tl4  1  0.250  0.217  0.967  1.0
  Tl  Tl5  1  0.283  0.533  0.750  1.0
  Tl  Tl6  1  0.533  0.750  0.283  1.0
  Tl  Tl7  1  0.217  0.967  0.250  1.0
  Tl  Tl8  1  0.967  0.250  0.217  1.0
  Tl  Tl9  1  0.750  0.283  0.533  1.0
  Tl  Tl10  1  0.750  0.783  0.033  1.0
  Tl  Tl11  1  0.717  0.467  0.250  1.0
  Tl  Tl12  1  0.467  0.250  0.717  1.0
  Tl  Tl13  1  0.783  0.033  0.750  1.0
  Tl  Tl14  1  0.033  0.750  0.783  1.0
  Tl  Tl15  1  0.250  0.717  0.467  1.0
  O  O16  1  0.538  0.772  0.543  1.0
  O  O17  1  0.995  0.957  0.729  1.0
  O  O18  1  0.266  0.771  0.728  1.0
  O  O19  1  0.505  0.234  0.962  1.0
  O  O20  1  0.957  0.729  0.995  1.0
  O  O21  1  0.728  0.266  0.771  1.0
  O  O22  1  0.234  0.962  0.505  1.0
  O  O23  1  0.543  0.538  0.772  1.0
  O  O24  1  0.772  0.543  0.538  1.0
  O  O25  1  0.729  0.995  0.957  1.0
  O  O26  1  0.771  0.728  0.266  1.0
  O  O27  1  0.962  0.505  0.234  1.0
  O  O28  1  0.462  0.228  0.457  1.0
  O  O29  1  0.005  0.043  0.271  1.0
  O  O30  1  0.734  0.229  0.272  1.0
  O  O31  1  0.495  0.766  0.038  1.0
  O  O32  1  0.043  0.271  0.005  1.0
  O  O33  1  0.272  0.734  0.229  1.0
  O  O34  1  0.766  0.038  0.495  1.0
  O  O35  1  0.457  0.462  0.228  1.0
  O  O36  1  0.228  0.457  0.462  1.0
  O  O37  1  0.271  0.005  0.043  1.0
  O  O38  1  0.229  0.272  0.734  1.0
  O  O39  1  0.038  0.495  0.766  1.0
[/CIF]
.