The material described by TmCuTe2 crystallizes in the trigonal P3m1 space group. Tm(1) is bonded to three equivalent Te(1) and three equivalent Te(2) atoms to form distorted TmTe6 octahedra that share corners with six equivalent Cu(1)Te4 tetrahedra, edges with six equivalent Tm(1)Te6 octahedra, and edges with three equivalent Cu(1)Te4 tetrahedra. Cu(1) is bonded to one Te(1) and three equivalent Te(2) atoms to form distorted CuTe4 tetrahedra that share corners with six equivalent Tm(1)Te6 octahedra, corners with six equivalent Cu(1)Te4 tetrahedra, and edges with three equivalent Tm(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 21-56°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Tm(1) and one Cu(1) atom. In the second Te site, Te(2) is bonded to three equivalent Tm(1) and three equivalent Cu(1) atoms to form distorted edge-sharing TeTm3Cu3 octahedra. is represented by the CIF file [CIF]
data_TmCuTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.331
_cell_length_b   4.331
_cell_length_c   6.840
_cell_angle_alpha   89.998
_cell_angle_beta   89.998
_cell_angle_gamma   60.002
_symmetry_Int_Tables_number   1
_cell_volume   111.121
_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
  Tm  Tm0  1  0.000  0.000  0.989  1.0
  Cu  Cu1  1  0.667  0.667  0.361  1.0
  Te  Te2  1  0.667  0.667  0.746  1.0
  Te  Te3  1  0.333  0.333  0.262  1.0
[/CIF]
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The material described by TmCuTe2 crystallizes in the trigonal P3m1 space group. Tm(1) is bonded to three equivalent Te(1) and three equivalent Te(2) atoms to form distorted TmTe6 octahedra that share corners with six equivalent Cu(1)Te4 tetrahedra, edges with six equivalent Tm(1)Te6 octahedra, and edges with three equivalent Cu(1)Te4 tetrahedra. Cu(1) is bonded to one Te(1) and three equivalent Te(2) atoms to form distorted CuTe4 tetrahedra that share corners with six equivalent Tm(1)Te6 octahedra, corners with six equivalent Cu(1)Te4 tetrahedra, and edges with three equivalent Tm(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 21-56°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Tm(1) and one Cu(1) atom. In the second Te site, Te(2) is bonded to three equivalent Tm(1) and three equivalent Cu(1) atoms to form distorted edge-sharing TeTm3Cu3 octahedra. is represented by the CIF file [CIF]
data_TmCuTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.331
_cell_length_b   4.331
_cell_length_c   6.840
_cell_angle_alpha   89.998
_cell_angle_beta   89.998
_cell_angle_gamma   60.002
_symmetry_Int_Tables_number   1
_cell_volume   111.121
_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
  Tm  Tm0  1  0.000  0.000  0.989  1.0
  Cu  Cu1  1  0.667  0.667  0.361  1.0
  Te  Te2  1  0.667  0.667  0.746  1.0
  Te  Te3  1  0.333  0.333  0.262  1.0
[/CIF]
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