The material described by TmCu3Te3 crystallizes in the trigonal R-3 space group. Tm(1) is bonded to six equivalent Te(1) atoms to form TmTe6 octahedra that share corners with twelve equivalent Cu(1)Te4 tetrahedra, edges with three equivalent Tm(1)Te6 octahedra, and edges with six equivalent Cu(1)Te4 tetrahedra. Cu(1) is bonded to four equivalent Te(1) atoms to form distorted CuTe4 tetrahedra that share corners with four equivalent Tm(1)Te6 octahedra, corners with six equivalent Cu(1)Te4 tetrahedra, edges with two equivalent Tm(1)Te6 octahedra, and edges with three equivalent Cu(1)Te4 tetrahedra. The corner-sharing octahedral tilt angles range from 14-59°. Te(1) is bonded to two equivalent Tm(1) and four equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing TeTm2Cu4 octahedra. The corner-sharing octahedral tilt angles range from 3-93°. is represented by the CIF file [CIF]
data_Tm(CuTe)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.199
_cell_length_b   8.199
_cell_length_c   8.199
_cell_angle_alpha   53.963
_cell_angle_beta   53.963
_cell_angle_gamma   53.963
_symmetry_Int_Tables_number   1
_cell_volume   334.803
_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
  Tm  Tm0  1  0.666  0.666  0.666  1.0
  Tm  Tm1  1  0.334  0.334  0.334  1.0
  Cu  Cu2  1  0.872  0.529  0.224  1.0
  Cu  Cu3  1  0.529  0.224  0.872  1.0
  Cu  Cu4  1  0.224  0.872  0.529  1.0
  Cu  Cu5  1  0.776  0.128  0.471  1.0
  Cu  Cu6  1  0.471  0.776  0.128  1.0
  Cu  Cu7  1  0.128  0.471  0.776  1.0
  Te  Te8  1  0.079  0.759  0.405  1.0
  Te  Te9  1  0.405  0.079  0.759  1.0
  Te  Te10  1  0.759  0.405  0.079  1.0
  Te  Te11  1  0.241  0.595  0.921  1.0
  Te  Te12  1  0.595  0.921  0.241  1.0
  Te  Te13  1  0.921  0.241  0.595  1.0
[/CIF]
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The material described by TmCu3Te3 crystallizes in the trigonal R-3 space group. Tm(1) is bonded to six equivalent Te(1) atoms to form TmTe6 octahedra that share corners with twelve equivalent Cu(1)Te4 tetrahedra, edges with three equivalent Tm(1)Te6 octahedra, and edges with six equivalent Cu(1)Te4 tetrahedra. Cu(1) is bonded to four equivalent Te(1) atoms to form distorted CuTe4 tetrahedra that share corners with four equivalent Tm(1)Te6 octahedra, corners with six equivalent Cu(1)Te4 tetrahedra, edges with two equivalent Tm(1)Te6 octahedra, and edges with three equivalent Cu(1)Te4 tetrahedra. The corner-sharing octahedral tilt angles range from 14-59°. Te(1) is bonded to two equivalent Tm(1) and four equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing TeTm2Cu4 octahedra. The corner-sharing octahedral tilt angles range from 3-93°. is represented by the CIF file [CIF]
data_Tm(CuTe)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.199
_cell_length_b   8.199
_cell_length_c   8.199
_cell_angle_alpha   53.963
_cell_angle_beta   53.963
_cell_angle_gamma   53.963
_symmetry_Int_Tables_number   1
_cell_volume   334.803
_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
  Tm  Tm0  1  0.666  0.666  0.666  1.0
  Tm  Tm1  1  0.334  0.334  0.334  1.0
  Cu  Cu2  1  0.872  0.529  0.224  1.0
  Cu  Cu3  1  0.529  0.224  0.872  1.0
  Cu  Cu4  1  0.224  0.872  0.529  1.0
  Cu  Cu5  1  0.776  0.128  0.471  1.0
  Cu  Cu6  1  0.471  0.776  0.128  1.0
  Cu  Cu7  1  0.128  0.471  0.776  1.0
  Te  Te8  1  0.079  0.759  0.405  1.0
  Te  Te9  1  0.405  0.079  0.759  1.0
  Te  Te10  1  0.759  0.405  0.079  1.0
  Te  Te11  1  0.241  0.595  0.921  1.0
  Te  Te12  1  0.595  0.921  0.241  1.0
  Te  Te13  1  0.921  0.241  0.595  1.0
[/CIF]
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