The material structure described by KCu3Te2 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 8-coordinate geometry to one Cu(3), three equivalent Te(1), and four equivalent Te(2) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 8-coordinate geometry to one Cu(1), one Cu(2), two equivalent Cu(3), two equivalent Te(1), and two equivalent Te(2) atoms. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to one Cu(1), two equivalent Cu(2), two equivalent Cu(3), one Te(2), and three equivalent Te(1) atoms. In the third Cu site, Cu(3) is bonded in a 3-coordinate geometry to one K(1), two equivalent Cu(1), two equivalent Cu(2), one Te(1), and two equivalent Te(2) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 9-coordinate geometry to three equivalent K(1), one Cu(3), two equivalent Cu(1), and three equivalent Cu(2) atoms. In the second Te site, Te(2) is bonded in a 9-coordinate geometry to four equivalent K(1), one Cu(2), two equivalent Cu(1), and two equivalent Cu(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KCu3Te2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.466
_cell_length_b   8.466
_cell_length_c   8.683
_cell_angle_alpha   69.143
_cell_angle_beta   69.143
_cell_angle_gamma   29.150
_symmetry_Int_Tables_number   1
_cell_volume   281.886
_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
  K  K0  1  0.134  0.134  0.954  1.0
  K  K1  1  0.866  0.866  0.046  1.0
  Cu  Cu2  1  0.584  0.584  0.399  1.0
  Cu  Cu3  1  0.416  0.416  0.601  1.0
  Cu  Cu4  1  0.696  0.696  0.529  1.0
  Cu  Cu5  1  0.304  0.304  0.471  1.0
  Cu  Cu6  1  0.930  0.930  0.416  1.0
  Cu  Cu7  1  0.070  0.070  0.584  1.0
  Te  Te8  1  0.798  0.798  0.695  1.0
  Te  Te9  1  0.202  0.202  0.305  1.0
  Te  Te10  1  0.521  0.521  0.761  1.0
  Te  Te11  1  0.479  0.479  0.239  1.0
[/CIF]
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The material structure described by KCu3Te2 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 8-coordinate geometry to one Cu(3), three equivalent Te(1), and four equivalent Te(2) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 8-coordinate geometry to one Cu(1), one Cu(2), two equivalent Cu(3), two equivalent Te(1), and two equivalent Te(2) atoms. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to one Cu(1), two equivalent Cu(2), two equivalent Cu(3), one Te(2), and three equivalent Te(1) atoms. In the third Cu site, Cu(3) is bonded in a 3-coordinate geometry to one K(1), two equivalent Cu(1), two equivalent Cu(2), one Te(1), and two equivalent Te(2) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 9-coordinate geometry to three equivalent K(1), one Cu(3), two equivalent Cu(1), and three equivalent Cu(2) atoms. In the second Te site, Te(2) is bonded in a 9-coordinate geometry to four equivalent K(1), one Cu(2), two equivalent Cu(1), and two equivalent Cu(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KCu3Te2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.466
_cell_length_b   8.466
_cell_length_c   8.683
_cell_angle_alpha   69.143
_cell_angle_beta   69.143
_cell_angle_gamma   29.150
_symmetry_Int_Tables_number   1
_cell_volume   281.886
_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
  K  K0  1  0.134  0.134  0.954  1.0
  K  K1  1  0.866  0.866  0.046  1.0
  Cu  Cu2  1  0.584  0.584  0.399  1.0
  Cu  Cu3  1  0.416  0.416  0.601  1.0
  Cu  Cu4  1  0.696  0.696  0.529  1.0
  Cu  Cu5  1  0.304  0.304  0.471  1.0
  Cu  Cu6  1  0.930  0.930  0.416  1.0
  Cu  Cu7  1  0.070  0.070  0.584  1.0
  Te  Te8  1  0.798  0.798  0.695  1.0
  Te  Te9  1  0.202  0.202  0.305  1.0
  Te  Te10  1  0.521  0.521  0.761  1.0
  Te  Te11  1  0.479  0.479  0.239  1.0
[/CIF]
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