The compound described by NaTlO2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. Na(1) is bonded to six O(1,1,1) atoms to form NaO6 octahedra that share corners with two equivalent Tl(1)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, edges with four equivalent Na(1)O6 octahedra, and edges with eight equivalent Tl(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. Tl(1) is bonded to six O(1,1) atoms to form TlO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Tl(1)O6 octahedra, edges with four equivalent Tl(1)O6 octahedra, and edges with eight equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Na(1) and three equivalent Tl(1) atoms to form a mixture of corner and edge-sharing ONa3Tl3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(1) is bonded to three equivalent Na(1) and three equivalent Tl(1) atoms to form a mixture of corner and edge-sharing ONa3Tl3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the third O site, O(1) is bonded to three equivalent Na(1) and three equivalent Tl(1) atoms to form a mixture of corner and edge-sharing ONa3Tl3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. is represented by the CIF card [CIF]
data_NaTlO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.770
_cell_length_b   5.770
_cell_length_c   5.770
_cell_angle_alpha   130.982
_cell_angle_beta   130.982
_cell_angle_gamma   71.841
_symmetry_Int_Tables_number   1
_cell_volume   107.110
_cell_formula_units_Z   2
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
  Na  Na0  1  0.250  0.750  0.500  1.0
  Na  Na1  1  0.500  0.500  0.000  1.0
  Tl  Tl2  1  0.000  0.000  0.000  1.0
  Tl  Tl3  1  0.750  0.250  0.500  1.0
  O  O4  1  0.981  0.481  0.500  1.0
  O  O5  1  0.769  0.769  0.000  1.0
  O  O6  1  0.519  0.019  0.500  1.0
  O  O7  1  0.231  0.231  0.000  1.0
[/CIF]
.
The compound described by NaTlO2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. Na(1) is bonded to six O(1,1,1) atoms to form NaO6 octahedra that share corners with two equivalent Tl(1)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, edges with four equivalent Na(1)O6 octahedra, and edges with eight equivalent Tl(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. Tl(1) is bonded to six O(1,1) atoms to form TlO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Tl(1)O6 octahedra, edges with four equivalent Tl(1)O6 octahedra, and edges with eight equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Na(1) and three equivalent Tl(1) atoms to form a mixture of corner and edge-sharing ONa3Tl3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(1) is bonded to three equivalent Na(1) and three equivalent Tl(1) atoms to form a mixture of corner and edge-sharing ONa3Tl3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the third O site, O(1) is bonded to three equivalent Na(1) and three equivalent Tl(1) atoms to form a mixture of corner and edge-sharing ONa3Tl3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. is represented by the CIF card [CIF]
data_NaTlO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.770
_cell_length_b   5.770
_cell_length_c   5.770
_cell_angle_alpha   130.982
_cell_angle_beta   130.982
_cell_angle_gamma   71.841
_symmetry_Int_Tables_number   1
_cell_volume   107.110
_cell_formula_units_Z   2
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
  Na  Na0  1  0.250  0.750  0.500  1.0
  Na  Na1  1  0.500  0.500  0.000  1.0
  Tl  Tl2  1  0.000  0.000  0.000  1.0
  Tl  Tl3  1  0.750  0.250  0.500  1.0
  O  O4  1  0.981  0.481  0.500  1.0
  O  O5  1  0.769  0.769  0.000  1.0
  O  O6  1  0.519  0.019  0.500  1.0
  O  O7  1  0.231  0.231  0.000  1.0
[/CIF]
.