The material structure described by TiCuTlTe3 crystallizes in the monoclinic P2_1/m space group. Ti(1) is bonded in a 8-coordinate geometry to two equivalent Cu(1), one Te(2), two equivalent Te(1), and three equivalent Te(3) atoms. Cu(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1), two equivalent Cu(1), one Te(1), and three equivalent Te(2) atoms. Tl(1) is bonded in a 4-coordinate geometry to two equivalent Te(1) and two equivalent Te(3) atoms. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to two equivalent Ti(1), one Cu(1), and two equivalent Tl(1) atoms. In the second Te site, Te(2) is bonded in a 4-coordinate geometry to one Ti(1) and three equivalent Cu(1) atoms. In the third Te site, Te(3) is bonded in a 5-coordinate geometry to three equivalent Ti(1) and two equivalent Tl(1) atoms. is represented by the CIF file [CIF]
data_TiTlCuTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.980
_cell_length_b   8.705
_cell_length_c   10.575
_cell_angle_alpha   66.580
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   336.206
_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
  Ti  Ti0  1  0.250  0.711  0.822  1.0
  Ti  Ti1  1  0.750  0.289  0.178  1.0
  Tl  Tl2  1  0.250  0.283  0.716  1.0
  Tl  Tl3  1  0.750  0.717  0.284  1.0
  Cu  Cu4  1  0.250  0.080  0.400  1.0
  Cu  Cu5  1  0.750  0.920  0.600  1.0
  Te  Te6  1  0.750  0.922  0.846  1.0
  Te  Te7  1  0.250  0.078  0.154  1.0
  Te  Te8  1  0.250  0.749  0.556  1.0
  Te  Te9  1  0.750  0.251  0.444  1.0
  Te  Te10  1  0.750  0.456  0.882  1.0
  Te  Te11  1  0.250  0.544  0.118  1.0
[/CIF]
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The material structure described by TiCuTlTe3 crystallizes in the monoclinic P2_1/m space group. Ti(1) is bonded in a 8-coordinate geometry to two equivalent Cu(1), one Te(2), two equivalent Te(1), and three equivalent Te(3) atoms. Cu(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1), two equivalent Cu(1), one Te(1), and three equivalent Te(2) atoms. Tl(1) is bonded in a 4-coordinate geometry to two equivalent Te(1) and two equivalent Te(3) atoms. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to two equivalent Ti(1), one Cu(1), and two equivalent Tl(1) atoms. In the second Te site, Te(2) is bonded in a 4-coordinate geometry to one Ti(1) and three equivalent Cu(1) atoms. In the third Te site, Te(3) is bonded in a 5-coordinate geometry to three equivalent Ti(1) and two equivalent Tl(1) atoms. is represented by the CIF file [CIF]
data_TiTlCuTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.980
_cell_length_b   8.705
_cell_length_c   10.575
_cell_angle_alpha   66.580
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   336.206
_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
  Ti  Ti0  1  0.250  0.711  0.822  1.0
  Ti  Ti1  1  0.750  0.289  0.178  1.0
  Tl  Tl2  1  0.250  0.283  0.716  1.0
  Tl  Tl3  1  0.750  0.717  0.284  1.0
  Cu  Cu4  1  0.250  0.080  0.400  1.0
  Cu  Cu5  1  0.750  0.920  0.600  1.0
  Te  Te6  1  0.750  0.922  0.846  1.0
  Te  Te7  1  0.250  0.078  0.154  1.0
  Te  Te8  1  0.250  0.749  0.556  1.0
  Te  Te9  1  0.750  0.251  0.444  1.0
  Te  Te10  1  0.750  0.456  0.882  1.0
  Te  Te11  1  0.250  0.544  0.118  1.0
[/CIF]
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