The material structure described by K6InTe4Cl crystallizes in the hexagonal P6_3mc space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 5-coordinate geometry to three equivalent Te(1) and two equivalent Cl(1) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one In(1), one Te(2), and four equivalent Te(1) atoms. In(1) is bonded in a distorted tetrahedral geometry to three equivalent K(2), one Te(2), and three equivalent Te(1) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 8-coordinate geometry to three equivalent K(1), four equivalent K(2), and one In(1) atom. In the second Te site, Te(2) is bonded in a rectangular see-saw-like geometry to three equivalent K(2) and one In(1) atom. Cl(1) is bonded to six equivalent K(1) atoms to form face-sharing ClK6 octahedra. is represented by the CIF file [CIF]
data_K6InTe4Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.490
_cell_length_b   11.490
_cell_length_c   8.142
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   930.948
_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  0.124  0.876  0.518  1.0
  K  K1  1  0.751  0.876  0.518  1.0
  K  K2  1  0.958  0.479  0.319  1.0
  K  K3  1  0.521  0.479  0.319  1.0
  K  K4  1  0.876  0.751  0.018  1.0
  K  K5  1  0.249  0.124  0.018  1.0
  K  K6  1  0.521  0.042  0.319  1.0
  K  K7  1  0.124  0.249  0.518  1.0
  K  K8  1  0.876  0.124  0.018  1.0
  K  K9  1  0.042  0.521  0.819  1.0
  K  K10  1  0.479  0.958  0.819  1.0
  K  K11  1  0.479  0.521  0.819  1.0
  In  In12  1  0.667  0.333  0.705  1.0
  In  In13  1  0.333  0.667  0.205  1.0
  Te  Te14  1  0.397  0.199  0.598  1.0
  Te  Te15  1  0.603  0.801  0.098  1.0
  Te  Te16  1  0.667  0.333  0.053  1.0
  Te  Te17  1  0.801  0.603  0.598  1.0
  Te  Te18  1  0.199  0.397  0.098  1.0
  Te  Te19  1  0.333  0.667  0.553  1.0
  Te  Te20  1  0.199  0.801  0.098  1.0
  Te  Te21  1  0.801  0.199  0.598  1.0
  Cl  Cl22  1  0.000  0.000  0.277  1.0
  Cl  Cl23  1  0.000  0.000  0.777  1.0
[/CIF]
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The material structure described by K6InTe4Cl crystallizes in the hexagonal P6_3mc space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 5-coordinate geometry to three equivalent Te(1) and two equivalent Cl(1) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one In(1), one Te(2), and four equivalent Te(1) atoms. In(1) is bonded in a distorted tetrahedral geometry to three equivalent K(2), one Te(2), and three equivalent Te(1) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 8-coordinate geometry to three equivalent K(1), four equivalent K(2), and one In(1) atom. In the second Te site, Te(2) is bonded in a rectangular see-saw-like geometry to three equivalent K(2) and one In(1) atom. Cl(1) is bonded to six equivalent K(1) atoms to form face-sharing ClK6 octahedra. is represented by the CIF file [CIF]
data_K6InTe4Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.490
_cell_length_b   11.490
_cell_length_c   8.142
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   930.948
_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  0.124  0.876  0.518  1.0
  K  K1  1  0.751  0.876  0.518  1.0
  K  K2  1  0.958  0.479  0.319  1.0
  K  K3  1  0.521  0.479  0.319  1.0
  K  K4  1  0.876  0.751  0.018  1.0
  K  K5  1  0.249  0.124  0.018  1.0
  K  K6  1  0.521  0.042  0.319  1.0
  K  K7  1  0.124  0.249  0.518  1.0
  K  K8  1  0.876  0.124  0.018  1.0
  K  K9  1  0.042  0.521  0.819  1.0
  K  K10  1  0.479  0.958  0.819  1.0
  K  K11  1  0.479  0.521  0.819  1.0
  In  In12  1  0.667  0.333  0.705  1.0
  In  In13  1  0.333  0.667  0.205  1.0
  Te  Te14  1  0.397  0.199  0.598  1.0
  Te  Te15  1  0.603  0.801  0.098  1.0
  Te  Te16  1  0.667  0.333  0.053  1.0
  Te  Te17  1  0.801  0.603  0.598  1.0
  Te  Te18  1  0.199  0.397  0.098  1.0
  Te  Te19  1  0.333  0.667  0.553  1.0
  Te  Te20  1  0.199  0.801  0.098  1.0
  Te  Te21  1  0.801  0.199  0.598  1.0
  Cl  Cl22  1  0.000  0.000  0.277  1.0
  Cl  Cl23  1  0.000  0.000  0.777  1.0
[/CIF]
.