The material structure described by K3TeS4 crystallizes in the cubic I-43m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to two equivalent S(2) and four equivalent S(3) atoms to form a mixture of edge and corner-sharing KS6 octahedra. The corner-sharing octahedral tilt angles range from 0-21°. In the second K site, K(2) is bonded to one S(1), one S(2), and four equivalent S(3) atoms to form a mixture of edge and corner-sharing KS6 octahedra. The corner-sharing octahedral tilt angles range from 0-21°. Te(1) is bonded in a trigonal non-coplanar geometry to three equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to six equivalent K(2) atoms to form SK6 octahedra that share corners with six equivalent S(2)K6 octahedra and edges with twelve equivalent S(3)K4Te trigonal bipyramids. The corner-sharing octahedra are not tilted. In the second S site, S(2) is bonded to two equivalent K(2) and four equivalent K(1) atoms to form SK6 octahedra that share corners with two equivalent S(1)K6 octahedra, corners with four equivalent S(2)K6 octahedra, and edges with twelve equivalent S(3)K4Te trigonal bipyramids. The corner-sharing octahedra are not tilted. In the third S site, S(3) is bonded to two equivalent K(1), two equivalent K(2), and one Te(1) atom to form SK4Te trigonal bipyramids that share corners with ten equivalent S(3)K4Te trigonal bipyramids,  an edgeedge with one S(1)K6 octahedra, edges with three equivalent S(2)K6 octahedra, and edges with two equivalent S(3)K4Te trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3TeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.268
_cell_length_b   11.268
_cell_length_c   11.268
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   1101.239
_cell_formula_units_Z   4
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  0.250  0.500  0.750  1.0
  K  K1  1  0.500  0.250  0.750  1.0
  K  K2  1  0.750  0.250  0.500  1.0
  K  K3  1  0.250  0.750  0.500  1.0
  K  K4  1  0.500  0.750  0.250  1.0
  K  K5  1  0.750  0.500  0.250  1.0
  K  K6  1  0.000  0.251  0.251  1.0
  K  K7  1  0.749  0.749  0.000  1.0
  K  K8  1  0.749  0.000  0.749  1.0
  K  K9  1  0.251  0.251  0.000  1.0
  K  K10  1  0.251  0.000  0.251  1.0
  K  K11  1  0.000  0.749  0.749  1.0
  Te  Te12  1  0.453  0.000  0.000  1.0
  Te  Te13  1  0.547  0.547  0.547  1.0
  Te  Te14  1  0.000  0.000  0.453  1.0
  Te  Te15  1  0.000  0.453  0.000  1.0
  S  S16  1  0.000  0.000  0.000  1.0
  S  S17  1  0.000  0.500  0.500  1.0
  S  S18  1  0.500  0.500  0.000  1.0
  S  S19  1  0.500  0.000  0.500  1.0
  S  S20  1  0.500  0.203  0.203  1.0
  S  S21  1  0.297  0.797  0.000  1.0
  S  S22  1  0.297  0.000  0.797  1.0
  S  S23  1  0.500  0.703  0.703  1.0
  S  S24  1  0.703  0.703  0.500  1.0
  S  S25  1  0.703  0.500  0.703  1.0
  S  S26  1  0.000  0.797  0.297  1.0
  S  S27  1  0.203  0.203  0.500  1.0
  S  S28  1  0.797  0.000  0.297  1.0
  S  S29  1  0.000  0.297  0.797  1.0
  S  S30  1  0.797  0.297  0.000  1.0
  S  S31  1  0.203  0.500  0.203  1.0
[/CIF]
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The material structure described by K3TeS4 crystallizes in the cubic I-43m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to two equivalent S(2) and four equivalent S(3) atoms to form a mixture of edge and corner-sharing KS6 octahedra. The corner-sharing octahedral tilt angles range from 0-21°. In the second K site, K(2) is bonded to one S(1), one S(2), and four equivalent S(3) atoms to form a mixture of edge and corner-sharing KS6 octahedra. The corner-sharing octahedral tilt angles range from 0-21°. Te(1) is bonded in a trigonal non-coplanar geometry to three equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to six equivalent K(2) atoms to form SK6 octahedra that share corners with six equivalent S(2)K6 octahedra and edges with twelve equivalent S(3)K4Te trigonal bipyramids. The corner-sharing octahedra are not tilted. In the second S site, S(2) is bonded to two equivalent K(2) and four equivalent K(1) atoms to form SK6 octahedra that share corners with two equivalent S(1)K6 octahedra, corners with four equivalent S(2)K6 octahedra, and edges with twelve equivalent S(3)K4Te trigonal bipyramids. The corner-sharing octahedra are not tilted. In the third S site, S(3) is bonded to two equivalent K(1), two equivalent K(2), and one Te(1) atom to form SK4Te trigonal bipyramids that share corners with ten equivalent S(3)K4Te trigonal bipyramids,  an edgeedge with one S(1)K6 octahedra, edges with three equivalent S(2)K6 octahedra, and edges with two equivalent S(3)K4Te trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3TeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.268
_cell_length_b   11.268
_cell_length_c   11.268
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   1101.239
_cell_formula_units_Z   4
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  0.250  0.500  0.750  1.0
  K  K1  1  0.500  0.250  0.750  1.0
  K  K2  1  0.750  0.250  0.500  1.0
  K  K3  1  0.250  0.750  0.500  1.0
  K  K4  1  0.500  0.750  0.250  1.0
  K  K5  1  0.750  0.500  0.250  1.0
  K  K6  1  0.000  0.251  0.251  1.0
  K  K7  1  0.749  0.749  0.000  1.0
  K  K8  1  0.749  0.000  0.749  1.0
  K  K9  1  0.251  0.251  0.000  1.0
  K  K10  1  0.251  0.000  0.251  1.0
  K  K11  1  0.000  0.749  0.749  1.0
  Te  Te12  1  0.453  0.000  0.000  1.0
  Te  Te13  1  0.547  0.547  0.547  1.0
  Te  Te14  1  0.000  0.000  0.453  1.0
  Te  Te15  1  0.000  0.453  0.000  1.0
  S  S16  1  0.000  0.000  0.000  1.0
  S  S17  1  0.000  0.500  0.500  1.0
  S  S18  1  0.500  0.500  0.000  1.0
  S  S19  1  0.500  0.000  0.500  1.0
  S  S20  1  0.500  0.203  0.203  1.0
  S  S21  1  0.297  0.797  0.000  1.0
  S  S22  1  0.297  0.000  0.797  1.0
  S  S23  1  0.500  0.703  0.703  1.0
  S  S24  1  0.703  0.703  0.500  1.0
  S  S25  1  0.703  0.500  0.703  1.0
  S  S26  1  0.000  0.797  0.297  1.0
  S  S27  1  0.203  0.203  0.500  1.0
  S  S28  1  0.797  0.000  0.297  1.0
  S  S29  1  0.000  0.297  0.797  1.0
  S  S30  1  0.797  0.297  0.000  1.0
  S  S31  1  0.203  0.500  0.203  1.0
[/CIF]
.