The crystal structure described by ScTlTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Sc(1) is bonded to six equivalent Te(1) atoms to form ScTe6 octahedra that share corners with six equivalent Tl(1)Te6 octahedra, edges with six equivalent Sc(1)Te6 octahedra, and edges with six equivalent Tl(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 10°. Tl(1) is bonded to six equivalent Te(1) atoms to form distorted TlTe6 octahedra that share corners with six equivalent Sc(1)Te6 octahedra, edges with six equivalent Sc(1)Te6 octahedra, and edges with six equivalent Tl(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 10°. Te(1) is bonded to three equivalent Sc(1) and three equivalent Tl(1) atoms to form a mixture of distorted corner and edge-sharing TeSc3Tl3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScTlTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.442
_cell_length_b   8.442
_cell_length_c   8.442
_cell_angle_alpha   29.326
_cell_angle_beta   29.326
_cell_angle_gamma   29.326
_symmetry_Int_Tables_number   1
_cell_volume   127.704
_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
  Sc  Sc0  1  0.000  0.000  0.000  1.0
  Tl  Tl1  1  0.500  0.500  0.500  1.0
  Te  Te2  1  0.734  0.734  0.734  1.0
  Te  Te3  1  0.266  0.266  0.266  1.0
[/CIF]
.
The crystal structure described by ScTlTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Sc(1) is bonded to six equivalent Te(1) atoms to form ScTe6 octahedra that share corners with six equivalent Tl(1)Te6 octahedra, edges with six equivalent Sc(1)Te6 octahedra, and edges with six equivalent Tl(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 10°. Tl(1) is bonded to six equivalent Te(1) atoms to form distorted TlTe6 octahedra that share corners with six equivalent Sc(1)Te6 octahedra, edges with six equivalent Sc(1)Te6 octahedra, and edges with six equivalent Tl(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 10°. Te(1) is bonded to three equivalent Sc(1) and three equivalent Tl(1) atoms to form a mixture of distorted corner and edge-sharing TeSc3Tl3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScTlTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.442
_cell_length_b   8.442
_cell_length_c   8.442
_cell_angle_alpha   29.326
_cell_angle_beta   29.326
_cell_angle_gamma   29.326
_symmetry_Int_Tables_number   1
_cell_volume   127.704
_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
  Sc  Sc0  1  0.000  0.000  0.000  1.0
  Tl  Tl1  1  0.500  0.500  0.500  1.0
  Te  Te2  1  0.734  0.734  0.734  1.0
  Te  Te3  1  0.266  0.266  0.266  1.0
[/CIF]
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