The structure described by YbTlSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Yb(1) is bonded to six equivalent Se(1) atoms to form YbSe6 octahedra that share corners with six equivalent Tl(1)Se6 octahedra, edges with six equivalent Yb(1)Se6 octahedra, and edges with six equivalent Tl(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 4°. Tl(1) is bonded to six equivalent Se(1) atoms to form TlSe6 octahedra that share corners with six equivalent Yb(1)Se6 octahedra, edges with six equivalent Yb(1)Se6 octahedra, and edges with six equivalent Tl(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 4°. Se(1) is bonded to three equivalent Yb(1) and three equivalent Tl(1) atoms to form a mixture of corner and edge-sharing SeYb3Tl3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_YbTlSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.264
_cell_length_b   4.264
_cell_length_c   7.513
_cell_angle_alpha   73.515
_cell_angle_beta   73.515
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   111.741
_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
  Yb  Yb0  1  0.000  0.000  0.000  1.0
  Tl  Tl1  1  0.500  0.500  0.500  1.0
  Se  Se2  1  0.744  0.744  0.769  1.0
  Se  Se3  1  0.256  0.256  0.231  1.0
[/CIF]
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The structure described by YbTlSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Yb(1) is bonded to six equivalent Se(1) atoms to form YbSe6 octahedra that share corners with six equivalent Tl(1)Se6 octahedra, edges with six equivalent Yb(1)Se6 octahedra, and edges with six equivalent Tl(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 4°. Tl(1) is bonded to six equivalent Se(1) atoms to form TlSe6 octahedra that share corners with six equivalent Yb(1)Se6 octahedra, edges with six equivalent Yb(1)Se6 octahedra, and edges with six equivalent Tl(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 4°. Se(1) is bonded to three equivalent Yb(1) and three equivalent Tl(1) atoms to form a mixture of corner and edge-sharing SeYb3Tl3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_YbTlSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.264
_cell_length_b   4.264
_cell_length_c   7.513
_cell_angle_alpha   73.515
_cell_angle_beta   73.515
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   111.741
_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
  Yb  Yb0  1  0.000  0.000  0.000  1.0
  Tl  Tl1  1  0.500  0.500  0.500  1.0
  Se  Se2  1  0.744  0.744  0.769  1.0
  Se  Se3  1  0.256  0.256  0.231  1.0
[/CIF]
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