The crystal structure described by TbTlSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Tb(1) is bonded to six equivalent Se(1) atoms to form TbSe6 octahedra that share corners with six equivalent Tl(1)Se6 octahedra, edges with six equivalent Tb(1)Se6 octahedra, and edges with six equivalent Tl(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 10°. Tl(1) is bonded to six equivalent Se(1) atoms to form distorted TlSe6 octahedra that share corners with six equivalent Tb(1)Se6 octahedra, edges with six equivalent Tb(1)Se6 octahedra, and edges with six equivalent Tl(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 10°. Se(1) is bonded to three equivalent Tb(1) and three equivalent Tl(1) atoms to form a mixture of distorted corner and edge-sharing SeTb3Tl3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_TbTlSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.094
_cell_length_b   8.094
_cell_length_c   8.094
_cell_angle_alpha   29.946
_cell_angle_beta   29.946
_cell_angle_gamma   29.946
_symmetry_Int_Tables_number   1
_cell_volume   117.047
_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
  Tb  Tb0  1  0.000  0.000  0.000  1.0
  Tl  Tl1  1  0.500  0.500  0.500  1.0
  Se  Se2  1  0.735  0.735  0.735  1.0
  Se  Se3  1  0.265  0.265  0.265  1.0
[/CIF]
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The crystal structure described by TbTlSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Tb(1) is bonded to six equivalent Se(1) atoms to form TbSe6 octahedra that share corners with six equivalent Tl(1)Se6 octahedra, edges with six equivalent Tb(1)Se6 octahedra, and edges with six equivalent Tl(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 10°. Tl(1) is bonded to six equivalent Se(1) atoms to form distorted TlSe6 octahedra that share corners with six equivalent Tb(1)Se6 octahedra, edges with six equivalent Tb(1)Se6 octahedra, and edges with six equivalent Tl(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 10°. Se(1) is bonded to three equivalent Tb(1) and three equivalent Tl(1) atoms to form a mixture of distorted corner and edge-sharing SeTb3Tl3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_TbTlSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.094
_cell_length_b   8.094
_cell_length_c   8.094
_cell_angle_alpha   29.946
_cell_angle_beta   29.946
_cell_angle_gamma   29.946
_symmetry_Int_Tables_number   1
_cell_volume   117.047
_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
  Tb  Tb0  1  0.000  0.000  0.000  1.0
  Tl  Tl1  1  0.500  0.500  0.500  1.0
  Se  Se2  1  0.735  0.735  0.735  1.0
  Se  Se3  1  0.265  0.265  0.265  1.0
[/CIF]
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