The material structure described by TbCuTe2 crystallizes in the trigonal P-3m1 space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 6-coordinate geometry to one Cu(1), one Te(3), one Te(4), two equivalent Te(1), and two equivalent Te(2) atoms. In the second Tb site, Tb(2) is bonded to three equivalent Cu(2), three equivalent Te(1), and three equivalent Te(2) atoms to form distorted TbCu3Te6 octahedra that share corners with three equivalent Te(2)Tb3Cu3 pentagonal pyramids, corners with three equivalent Te(4)Tb3Cu3 pentagonal pyramids, and edges with three equivalent Te(2)Tb3Cu3 pentagonal pyramids. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 7-coordinate geometry to three equivalent Tb(1), one Te(3), and three equivalent Te(1) atoms. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one Tb(2), one Te(4), and three equivalent Te(2) atoms. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a rectangular see-saw-like geometry to one Tb(2), two equivalent Tb(1), and one Cu(1) atom. In the second Te site, Te(2) is bonded to one Tb(2), two equivalent Tb(1), and three equivalent Cu(2) atoms to form distorted TeTb3Cu3 pentagonal pyramids that share  a cornercorner with one Tb(2)Cu3Te6 octahedra,  a cornercorner with one Te(4)Tb3Cu3 pentagonal pyramid, corners with two equivalent Te(2)Tb3Cu3 pentagonal pyramids,  an edgeedge with one Tb(2)Cu3Te6 octahedra, edges with two equivalent Te(4)Tb3Cu3 pentagonal pyramids, and edges with four equivalent Te(2)Tb3Cu3 pentagonal pyramids. The corner-sharing octahedral tilt angles are 43°. In the third Te site, Te(3) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Tb(1) and one Cu(1) atom. In the fourth Te site, Te(4) is bonded to three equivalent Tb(1) and three equivalent Cu(2) atoms to form distorted TeTb3Cu3 pentagonal pyramids that share corners with three equivalent Tb(2)Cu3Te6 octahedra, corners with three equivalent Te(2)Tb3Cu3 pentagonal pyramids, and edges with six equivalent Te(2)Tb3Cu3 pentagonal pyramids. The corner-sharing octahedral tilt angles are 58°. is represented by the Crystallographic Information File (CIF) [CIF]
data_TbCuTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.699
_cell_length_b   8.699
_cell_length_c   13.939
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   913.495
_cell_formula_units_Z   8
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
  Tb  Tb0  1  0.991  0.496  0.240  1.0
  Tb  Tb1  1  0.504  0.496  0.240  1.0
  Tb  Tb2  1  0.504  0.009  0.240  1.0
  Tb  Tb3  1  0.009  0.504  0.760  1.0
  Tb  Tb4  1  0.496  0.504  0.760  1.0
  Tb  Tb5  1  0.496  0.991  0.760  1.0
  Tb  Tb6  1  1.000  1.000  0.255  1.0
  Tb  Tb7  1  0.000  0.000  0.745  1.0
  Cu  Cu8  1  0.333  0.667  0.928  1.0
  Cu  Cu9  1  0.667  0.333  0.072  1.0
  Cu  Cu10  1  0.165  0.330  0.573  1.0
  Cu  Cu11  1  0.670  0.835  0.573  1.0
  Cu  Cu12  1  0.165  0.835  0.573  1.0
  Cu  Cu13  1  0.835  0.670  0.427  1.0
  Cu  Cu14  1  0.330  0.165  0.427  1.0
  Cu  Cu15  1  0.835  0.165  0.427  1.0
  Te  Te16  1  0.837  0.674  0.119  1.0
  Te  Te17  1  0.326  0.163  0.119  1.0
  Te  Te18  1  0.837  0.163  0.119  1.0
  Te  Te19  1  0.163  0.326  0.881  1.0
  Te  Te20  1  0.674  0.837  0.881  1.0
  Te  Te21  1  0.163  0.837  0.881  1.0
  Te  Te22  1  0.173  0.827  0.381  1.0
  Te  Te23  1  0.173  0.346  0.381  1.0
  Te  Te24  1  0.654  0.827  0.381  1.0
  Te  Te25  1  0.827  0.173  0.619  1.0
  Te  Te26  1  0.827  0.654  0.619  1.0
  Te  Te27  1  0.346  0.173  0.619  1.0
  Te  Te28  1  0.333  0.667  0.120  1.0
  Te  Te29  1  0.667  0.333  0.880  1.0
  Te  Te30  1  0.667  0.333  0.383  1.0
  Te  Te31  1  0.333  0.667  0.617  1.0
[/CIF]
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The material structure described by TbCuTe2 crystallizes in the trigonal P-3m1 space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 6-coordinate geometry to one Cu(1), one Te(3), one Te(4), two equivalent Te(1), and two equivalent Te(2) atoms. In the second Tb site, Tb(2) is bonded to three equivalent Cu(2), three equivalent Te(1), and three equivalent Te(2) atoms to form distorted TbCu3Te6 octahedra that share corners with three equivalent Te(2)Tb3Cu3 pentagonal pyramids, corners with three equivalent Te(4)Tb3Cu3 pentagonal pyramids, and edges with three equivalent Te(2)Tb3Cu3 pentagonal pyramids. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 7-coordinate geometry to three equivalent Tb(1), one Te(3), and three equivalent Te(1) atoms. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one Tb(2), one Te(4), and three equivalent Te(2) atoms. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a rectangular see-saw-like geometry to one Tb(2), two equivalent Tb(1), and one Cu(1) atom. In the second Te site, Te(2) is bonded to one Tb(2), two equivalent Tb(1), and three equivalent Cu(2) atoms to form distorted TeTb3Cu3 pentagonal pyramids that share  a cornercorner with one Tb(2)Cu3Te6 octahedra,  a cornercorner with one Te(4)Tb3Cu3 pentagonal pyramid, corners with two equivalent Te(2)Tb3Cu3 pentagonal pyramids,  an edgeedge with one Tb(2)Cu3Te6 octahedra, edges with two equivalent Te(4)Tb3Cu3 pentagonal pyramids, and edges with four equivalent Te(2)Tb3Cu3 pentagonal pyramids. The corner-sharing octahedral tilt angles are 43°. In the third Te site, Te(3) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Tb(1) and one Cu(1) atom. In the fourth Te site, Te(4) is bonded to three equivalent Tb(1) and three equivalent Cu(2) atoms to form distorted TeTb3Cu3 pentagonal pyramids that share corners with three equivalent Tb(2)Cu3Te6 octahedra, corners with three equivalent Te(2)Tb3Cu3 pentagonal pyramids, and edges with six equivalent Te(2)Tb3Cu3 pentagonal pyramids. The corner-sharing octahedral tilt angles are 58°. is represented by the Crystallographic Information File (CIF) [CIF]
data_TbCuTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.699
_cell_length_b   8.699
_cell_length_c   13.939
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   913.495
_cell_formula_units_Z   8
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
  Tb  Tb0  1  0.991  0.496  0.240  1.0
  Tb  Tb1  1  0.504  0.496  0.240  1.0
  Tb  Tb2  1  0.504  0.009  0.240  1.0
  Tb  Tb3  1  0.009  0.504  0.760  1.0
  Tb  Tb4  1  0.496  0.504  0.760  1.0
  Tb  Tb5  1  0.496  0.991  0.760  1.0
  Tb  Tb6  1  1.000  1.000  0.255  1.0
  Tb  Tb7  1  0.000  0.000  0.745  1.0
  Cu  Cu8  1  0.333  0.667  0.928  1.0
  Cu  Cu9  1  0.667  0.333  0.072  1.0
  Cu  Cu10  1  0.165  0.330  0.573  1.0
  Cu  Cu11  1  0.670  0.835  0.573  1.0
  Cu  Cu12  1  0.165  0.835  0.573  1.0
  Cu  Cu13  1  0.835  0.670  0.427  1.0
  Cu  Cu14  1  0.330  0.165  0.427  1.0
  Cu  Cu15  1  0.835  0.165  0.427  1.0
  Te  Te16  1  0.837  0.674  0.119  1.0
  Te  Te17  1  0.326  0.163  0.119  1.0
  Te  Te18  1  0.837  0.163  0.119  1.0
  Te  Te19  1  0.163  0.326  0.881  1.0
  Te  Te20  1  0.674  0.837  0.881  1.0
  Te  Te21  1  0.163  0.837  0.881  1.0
  Te  Te22  1  0.173  0.827  0.381  1.0
  Te  Te23  1  0.173  0.346  0.381  1.0
  Te  Te24  1  0.654  0.827  0.381  1.0
  Te  Te25  1  0.827  0.173  0.619  1.0
  Te  Te26  1  0.827  0.654  0.619  1.0
  Te  Te27  1  0.346  0.173  0.619  1.0
  Te  Te28  1  0.333  0.667  0.120  1.0
  Te  Te29  1  0.667  0.333  0.880  1.0
  Te  Te30  1  0.667  0.333  0.383  1.0
  Te  Te31  1  0.333  0.667  0.617  1.0
[/CIF]
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