The compound described by CuTlO2 crystallizes in the trigonal R-3m space group. Cu(1) is bonded in a linear geometry to two equivalent O(1) atoms. Tl(1) is bonded to six equivalent O(1) atoms to form edge-sharing TlO6 octahedra. O(1) is bonded to one Cu(1) and three equivalent Tl(1) atoms to form a mixture of distorted edge and corner-sharing OTl3Cu tetrahedra. is represented by the CIF file [CIF]
data_TlCuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.252
_cell_length_b   6.252
_cell_length_c   6.252
_cell_angle_alpha   32.861
_cell_angle_beta   32.861
_cell_angle_gamma   32.861
_symmetry_Int_Tables_number   1
_cell_volume   64.007
_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  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.397  0.397  0.397  1.0
  O  O3  1  0.603  0.603  0.603  1.0
[/CIF]
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The compound described by CuTlO2 crystallizes in the trigonal R-3m space group. Cu(1) is bonded in a linear geometry to two equivalent O(1) atoms. Tl(1) is bonded to six equivalent O(1) atoms to form edge-sharing TlO6 octahedra. O(1) is bonded to one Cu(1) and three equivalent Tl(1) atoms to form a mixture of distorted edge and corner-sharing OTl3Cu tetrahedra. is represented by the CIF file [CIF]
data_TlCuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.252
_cell_length_b   6.252
_cell_length_c   6.252
_cell_angle_alpha   32.861
_cell_angle_beta   32.861
_cell_angle_gamma   32.861
_symmetry_Int_Tables_number   1
_cell_volume   64.007
_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  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.397  0.397  0.397  1.0
  O  O3  1  0.603  0.603  0.603  1.0
[/CIF]
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