The material described by Cu7Te4 crystallizes in the trigonal P3m1 space group. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to three equivalent Cu(4), three equivalent Cu(6), and three equivalent Te(3) atoms. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to three equivalent Cu(5), three equivalent Te(3), and three equivalent Te(4) atoms. In the third Cu site, Cu(3) is bonded in a 10-coordinate geometry to one Cu(5), two equivalent Cu(3), two equivalent Cu(4), one Te(2), two equivalent Te(3), and two equivalent Te(4) atoms. In the fourth Cu site, Cu(4) is bonded in a 10-coordinate geometry to one Cu(1), two equivalent Cu(3), two equivalent Cu(4), one Te(2), two equivalent Te(3), and two equivalent Te(4) atoms. In the fifth Cu site, Cu(5) is bonded in a 8-coordinate geometry to one Cu(2), one Cu(3), two equivalent Cu(6), one Te(1), one Te(2), and two equivalent Te(4) atoms. In the sixth Cu site, Cu(6) is bonded in a 10-coordinate geometry to one Cu(1), two equivalent Cu(5), two equivalent Cu(6), one Te(1), two equivalent Te(3), and two equivalent Te(4) atoms. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to three equivalent Cu(5) and three equivalent Cu(6) atoms. In the second Te site, Te(2) is bonded in a 9-coordinate geometry to three equivalent Cu(3), three equivalent Cu(4), and three equivalent Cu(5) atoms. In the third Te site, Te(3) is bonded in a 8-coordinate geometry to one Cu(1), one Cu(2), two equivalent Cu(3), two equivalent Cu(4), and two equivalent Cu(6) atoms. In the fourth Te site, Te(4) is bonded in a 9-coordinate geometry to one Cu(2), two equivalent Cu(3), two equivalent Cu(4), two equivalent Cu(5), and two equivalent Cu(6) atoms. is represented by the CIF card [CIF]
data_Cu7Te4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.741
_cell_length_b   7.741
_cell_length_c   7.851
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   407.453
_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
  Cu  Cu0  1  0.333  0.667  0.205  1.0
  Cu  Cu1  1  0.667  0.333  0.971  1.0
  Cu  Cu2  1  0.799  0.201  0.479  1.0
  Cu  Cu3  1  0.799  0.599  0.479  1.0
  Cu  Cu4  1  0.401  0.201  0.479  1.0
  Cu  Cu5  1  0.204  0.796  0.447  1.0
  Cu  Cu6  1  0.204  0.408  0.447  1.0
  Cu  Cu7  1  0.592  0.796  0.447  1.0
  Cu  Cu8  1  0.854  0.146  0.848  1.0
  Cu  Cu9  1  0.854  0.707  0.848  1.0
  Cu  Cu10  1  0.293  0.146  0.848  1.0
  Cu  Cu11  1  0.208  0.792  0.964  1.0
  Cu  Cu12  1  0.208  0.415  0.964  1.0
  Cu  Cu13  1  0.585  0.792  0.964  1.0
  Te  Te14  1  0.000  0.000  0.065  1.0
  Te  Te15  1  0.000  0.000  0.547  1.0
  Te  Te16  1  0.519  0.481  0.227  1.0
  Te  Te17  1  0.519  0.038  0.227  1.0
  Te  Te18  1  0.962  0.481  0.227  1.0
  Te  Te19  1  0.494  0.506  0.716  1.0
  Te  Te20  1  0.494  0.988  0.716  1.0
  Te  Te21  1  0.012  0.506  0.716  1.0
[/CIF]
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The material described by Cu7Te4 crystallizes in the trigonal P3m1 space group. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to three equivalent Cu(4), three equivalent Cu(6), and three equivalent Te(3) atoms. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to three equivalent Cu(5), three equivalent Te(3), and three equivalent Te(4) atoms. In the third Cu site, Cu(3) is bonded in a 10-coordinate geometry to one Cu(5), two equivalent Cu(3), two equivalent Cu(4), one Te(2), two equivalent Te(3), and two equivalent Te(4) atoms. In the fourth Cu site, Cu(4) is bonded in a 10-coordinate geometry to one Cu(1), two equivalent Cu(3), two equivalent Cu(4), one Te(2), two equivalent Te(3), and two equivalent Te(4) atoms. In the fifth Cu site, Cu(5) is bonded in a 8-coordinate geometry to one Cu(2), one Cu(3), two equivalent Cu(6), one Te(1), one Te(2), and two equivalent Te(4) atoms. In the sixth Cu site, Cu(6) is bonded in a 10-coordinate geometry to one Cu(1), two equivalent Cu(5), two equivalent Cu(6), one Te(1), two equivalent Te(3), and two equivalent Te(4) atoms. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to three equivalent Cu(5) and three equivalent Cu(6) atoms. In the second Te site, Te(2) is bonded in a 9-coordinate geometry to three equivalent Cu(3), three equivalent Cu(4), and three equivalent Cu(5) atoms. In the third Te site, Te(3) is bonded in a 8-coordinate geometry to one Cu(1), one Cu(2), two equivalent Cu(3), two equivalent Cu(4), and two equivalent Cu(6) atoms. In the fourth Te site, Te(4) is bonded in a 9-coordinate geometry to one Cu(2), two equivalent Cu(3), two equivalent Cu(4), two equivalent Cu(5), and two equivalent Cu(6) atoms. is represented by the CIF card [CIF]
data_Cu7Te4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.741
_cell_length_b   7.741
_cell_length_c   7.851
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   407.453
_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
  Cu  Cu0  1  0.333  0.667  0.205  1.0
  Cu  Cu1  1  0.667  0.333  0.971  1.0
  Cu  Cu2  1  0.799  0.201  0.479  1.0
  Cu  Cu3  1  0.799  0.599  0.479  1.0
  Cu  Cu4  1  0.401  0.201  0.479  1.0
  Cu  Cu5  1  0.204  0.796  0.447  1.0
  Cu  Cu6  1  0.204  0.408  0.447  1.0
  Cu  Cu7  1  0.592  0.796  0.447  1.0
  Cu  Cu8  1  0.854  0.146  0.848  1.0
  Cu  Cu9  1  0.854  0.707  0.848  1.0
  Cu  Cu10  1  0.293  0.146  0.848  1.0
  Cu  Cu11  1  0.208  0.792  0.964  1.0
  Cu  Cu12  1  0.208  0.415  0.964  1.0
  Cu  Cu13  1  0.585  0.792  0.964  1.0
  Te  Te14  1  0.000  0.000  0.065  1.0
  Te  Te15  1  0.000  0.000  0.547  1.0
  Te  Te16  1  0.519  0.481  0.227  1.0
  Te  Te17  1  0.519  0.038  0.227  1.0
  Te  Te18  1  0.962  0.481  0.227  1.0
  Te  Te19  1  0.494  0.506  0.716  1.0
  Te  Te20  1  0.494  0.988  0.716  1.0
  Te  Te21  1  0.012  0.506  0.716  1.0
[/CIF]
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