The material described by Tl2O3 crystallizes in the trigonal P-3m1 space group. Tl(1) is bonded in a 7-coordinate geometry to three equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to six equivalent Tl(1) atoms to form edge-sharing OTl6 octahedra. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to four equivalent Tl(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tl2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.593
_cell_length_b   3.593
_cell_length_c   6.513
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   72.808
_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  0.667  0.333  0.267  1.0
  Tl  Tl1  1  0.333  0.667  0.733  1.0
  O  O2  1  0.000  0.000  0.500  1.0
  O  O3  1  0.667  0.333  0.846  1.0
  O  O4  1  0.333  0.667  0.154  1.0
[/CIF]
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The material described by Tl2O3 crystallizes in the trigonal P-3m1 space group. Tl(1) is bonded in a 7-coordinate geometry to three equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to six equivalent Tl(1) atoms to form edge-sharing OTl6 octahedra. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to four equivalent Tl(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tl2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.593
_cell_length_b   3.593
_cell_length_c   6.513
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   72.808
_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  0.667  0.333  0.267  1.0
  Tl  Tl1  1  0.333  0.667  0.733  1.0
  O  O2  1  0.000  0.000  0.500  1.0
  O  O3  1  0.667  0.333  0.846  1.0
  O  O4  1  0.333  0.667  0.154  1.0
[/CIF]
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