The compound described by LuTlTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Lu(1) is bonded to six equivalent Te(1) atoms to form LuTe6 octahedra that share corners with six equivalent Tl(1)Te6 octahedra, edges with six equivalent Lu(1)Te6 octahedra, and edges with six equivalent Tl(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 9°. Tl(1) is bonded to six equivalent Te(1) atoms to form distorted TlTe6 octahedra that share corners with six equivalent Lu(1)Te6 octahedra, edges with six equivalent Lu(1)Te6 octahedra, and edges with six equivalent Tl(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 9°. Te(1) is bonded to three equivalent Lu(1) and three equivalent Tl(1) atoms to form a mixture of distorted edge and corner-sharing TeLu3Tl3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_LuTlTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.375
_cell_length_b   4.375
_cell_length_c   8.516
_cell_angle_alpha   75.116
_cell_angle_beta   75.116
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   134.809
_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
  Lu  Lu0  1  0.500  0.500  0.500  1.0
  Tl  Tl1  1  0.000  0.000  0.000  1.0
  Te  Te2  1  0.764  0.764  0.708  1.0
  Te  Te3  1  0.236  0.236  0.292  1.0
[/CIF]
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The compound described by LuTlTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Lu(1) is bonded to six equivalent Te(1) atoms to form LuTe6 octahedra that share corners with six equivalent Tl(1)Te6 octahedra, edges with six equivalent Lu(1)Te6 octahedra, and edges with six equivalent Tl(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 9°. Tl(1) is bonded to six equivalent Te(1) atoms to form distorted TlTe6 octahedra that share corners with six equivalent Lu(1)Te6 octahedra, edges with six equivalent Lu(1)Te6 octahedra, and edges with six equivalent Tl(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 9°. Te(1) is bonded to three equivalent Lu(1) and three equivalent Tl(1) atoms to form a mixture of distorted edge and corner-sharing TeLu3Tl3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_LuTlTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.375
_cell_length_b   4.375
_cell_length_c   8.516
_cell_angle_alpha   75.116
_cell_angle_beta   75.116
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   134.809
_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
  Lu  Lu0  1  0.500  0.500  0.500  1.0
  Tl  Tl1  1  0.000  0.000  0.000  1.0
  Te  Te2  1  0.764  0.764  0.708  1.0
  Te  Te3  1  0.236  0.236  0.292  1.0
[/CIF]
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