The structure described by K3SiTe3 crystallizes in the monoclinic C2/m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to two equivalent Te(1) and four equivalent Te(2) atoms. In the second K site, K(2) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form distorted KTe6 octahedra that share corners with two equivalent K(2)Te6 octahedra, corners with two equivalent Si(1)SiTe3 tetrahedra, edges with two equivalent K(2)Te6 octahedra, and edges with two equivalent Si(1)SiTe3 tetrahedra. The corner-sharing octahedral tilt angles are 36°. In the third K site, K(3) is bonded in a 6-coordinate geometry to two equivalent Te(1) and four equivalent Te(2) atoms. Si(1) is bonded to one Si(1), one Te(1), and two equivalent Te(2) atoms to form SiSiTe3 tetrahedra that share corners with two equivalent K(2)Te6 octahedra,  a cornercorner with one Te(1)K6Si pentagonal bipyramid, corners with two equivalent Te(2)K6Si pentagonal bipyramids, and edges with two equivalent K(2)Te6 octahedra. The corner-sharing octahedral tilt angles are 80°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent K(1), two equivalent K(2), two equivalent K(3), and one Si(1) atom to form distorted TeK6Si pentagonal bipyramids that share corners with two equivalent Te(1)K6Si pentagonal bipyramids, corners with eight equivalent Te(2)K6Si pentagonal bipyramids,  a cornercorner with one Si(1)SiTe3 tetrahedra, edges with two equivalent Te(1)K6Si pentagonal bipyramids, edges with six equivalent Te(2)K6Si pentagonal bipyramids, and faces with two equivalent Te(2)K6Si pentagonal bipyramids. In the second Te site, Te(2) is bonded to two equivalent K(1), two equivalent K(2), two equivalent K(3), and one Si(1) atom to form distorted TeK6Si pentagonal bipyramids that share corners with three equivalent Te(2)K6Si pentagonal bipyramids, corners with four equivalent Te(1)K6Si pentagonal bipyramids,  a cornercorner with one Si(1)SiTe3 tetrahedra, edges with three equivalent Te(1)K6Si pentagonal bipyramids, edges with five equivalent Te(2)K6Si pentagonal bipyramids,  a faceface with one Te(1)K6Si pentagonal bipyramid, and faces with two equivalent Te(2)K6Si pentagonal bipyramids. is represented by the CIF file [CIF]
data_K3SiTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.413
_cell_length_b   8.413
_cell_length_c   8.908
_cell_angle_alpha   105.289
_cell_angle_beta   105.289
_cell_angle_gamma   109.535
_symmetry_Int_Tables_number   1
_cell_volume   528.412
_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  0.794  0.794  0.325  1.0
  K  K1  1  0.500  0.000  0.000  1.0
  K  K2  1  0.659  0.341  0.500  1.0
  K  K3  1  0.341  0.659  0.500  1.0
  K  K4  1  0.000  0.500  0.000  1.0
  K  K5  1  0.206  0.206  0.675  1.0
  Si  Si6  1  0.893  0.893  0.861  1.0
  Si  Si7  1  0.107  0.107  0.139  1.0
  Te  Te8  1  0.361  0.361  0.121  1.0
  Te  Te9  1  0.639  0.639  0.879  1.0
  Te  Te10  1  0.948  0.248  0.296  1.0
  Te  Te11  1  0.752  0.052  0.704  1.0
  Te  Te12  1  0.052  0.752  0.704  1.0
  Te  Te13  1  0.248  0.948  0.296  1.0
[/CIF]
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The structure described by K3SiTe3 crystallizes in the monoclinic C2/m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to two equivalent Te(1) and four equivalent Te(2) atoms. In the second K site, K(2) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form distorted KTe6 octahedra that share corners with two equivalent K(2)Te6 octahedra, corners with two equivalent Si(1)SiTe3 tetrahedra, edges with two equivalent K(2)Te6 octahedra, and edges with two equivalent Si(1)SiTe3 tetrahedra. The corner-sharing octahedral tilt angles are 36°. In the third K site, K(3) is bonded in a 6-coordinate geometry to two equivalent Te(1) and four equivalent Te(2) atoms. Si(1) is bonded to one Si(1), one Te(1), and two equivalent Te(2) atoms to form SiSiTe3 tetrahedra that share corners with two equivalent K(2)Te6 octahedra,  a cornercorner with one Te(1)K6Si pentagonal bipyramid, corners with two equivalent Te(2)K6Si pentagonal bipyramids, and edges with two equivalent K(2)Te6 octahedra. The corner-sharing octahedral tilt angles are 80°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent K(1), two equivalent K(2), two equivalent K(3), and one Si(1) atom to form distorted TeK6Si pentagonal bipyramids that share corners with two equivalent Te(1)K6Si pentagonal bipyramids, corners with eight equivalent Te(2)K6Si pentagonal bipyramids,  a cornercorner with one Si(1)SiTe3 tetrahedra, edges with two equivalent Te(1)K6Si pentagonal bipyramids, edges with six equivalent Te(2)K6Si pentagonal bipyramids, and faces with two equivalent Te(2)K6Si pentagonal bipyramids. In the second Te site, Te(2) is bonded to two equivalent K(1), two equivalent K(2), two equivalent K(3), and one Si(1) atom to form distorted TeK6Si pentagonal bipyramids that share corners with three equivalent Te(2)K6Si pentagonal bipyramids, corners with four equivalent Te(1)K6Si pentagonal bipyramids,  a cornercorner with one Si(1)SiTe3 tetrahedra, edges with three equivalent Te(1)K6Si pentagonal bipyramids, edges with five equivalent Te(2)K6Si pentagonal bipyramids,  a faceface with one Te(1)K6Si pentagonal bipyramid, and faces with two equivalent Te(2)K6Si pentagonal bipyramids. is represented by the CIF file [CIF]
data_K3SiTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.413
_cell_length_b   8.413
_cell_length_c   8.908
_cell_angle_alpha   105.289
_cell_angle_beta   105.289
_cell_angle_gamma   109.535
_symmetry_Int_Tables_number   1
_cell_volume   528.412
_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  0.794  0.794  0.325  1.0
  K  K1  1  0.500  0.000  0.000  1.0
  K  K2  1  0.659  0.341  0.500  1.0
  K  K3  1  0.341  0.659  0.500  1.0
  K  K4  1  0.000  0.500  0.000  1.0
  K  K5  1  0.206  0.206  0.675  1.0
  Si  Si6  1  0.893  0.893  0.861  1.0
  Si  Si7  1  0.107  0.107  0.139  1.0
  Te  Te8  1  0.361  0.361  0.121  1.0
  Te  Te9  1  0.639  0.639  0.879  1.0
  Te  Te10  1  0.948  0.248  0.296  1.0
  Te  Te11  1  0.752  0.052  0.704  1.0
  Te  Te12  1  0.052  0.752  0.704  1.0
  Te  Te13  1  0.248  0.948  0.296  1.0
[/CIF]
.