The material described by K3SbTe3 crystallizes in the cubic P2_13 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded to six equivalent Te(1) atoms to form distorted corner-sharing KTe6 octahedra. The corner-sharing octahedral tilt angles are 59°. In the second K site, K(2) is bonded in a 6-coordinate geometry to six equivalent Te(1) atoms. In the third K site, K(3) is bonded in a 6-coordinate geometry to six equivalent Te(1) atoms. Sb(1) is bonded in a 3-coordinate geometry to three equivalent Te(1) atoms. Te(1) is bonded to two equivalent K(1), two equivalent K(2), two equivalent K(3), and one Sb(1) atom to form a mixture of distorted edge, corner, and face-sharing TeK6Sb pentagonal bipyramids. is represented by the CIF file [CIF]
data_K3SbTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.471
_cell_length_b   10.471
_cell_length_c   10.471
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1148.045
_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  0.580  0.580  0.580  1.0
  K  K1  1  0.920  0.420  0.080  1.0
  K  K2  1  0.080  0.920  0.420  1.0
  K  K3  1  0.420  0.080  0.920  1.0
  K  K4  1  0.322  0.322  0.322  1.0
  K  K5  1  0.178  0.678  0.822  1.0
  K  K6  1  0.822  0.178  0.678  1.0
  K  K7  1  0.678  0.822  0.178  1.0
  K  K8  1  0.817  0.817  0.817  1.0
  K  K9  1  0.683  0.183  0.317  1.0
  K  K10  1  0.317  0.683  0.183  1.0
  K  K11  1  0.183  0.317  0.683  1.0
  Sb  Sb12  1  0.029  0.029  0.029  1.0
  Sb  Sb13  1  0.471  0.971  0.529  1.0
  Sb  Sb14  1  0.529  0.471  0.971  1.0
  Sb  Sb15  1  0.971  0.529  0.471  1.0
  Te  Te16  1  0.225  0.609  0.498  1.0
  Te  Te17  1  0.498  0.225  0.609  1.0
  Te  Te18  1  0.609  0.498  0.225  1.0
  Te  Te19  1  0.891  0.502  0.725  1.0
  Te  Te20  1  0.998  0.275  0.391  1.0
  Te  Te21  1  0.391  0.998  0.275  1.0
  Te  Te22  1  0.002  0.775  0.109  1.0
  Te  Te23  1  0.502  0.725  0.891  1.0
  Te  Te24  1  0.109  0.002  0.775  1.0
  Te  Te25  1  0.725  0.891  0.502  1.0
  Te  Te26  1  0.775  0.109  0.002  1.0
  Te  Te27  1  0.275  0.391  0.998  1.0
[/CIF]
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The material described by K3SbTe3 crystallizes in the cubic P2_13 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded to six equivalent Te(1) atoms to form distorted corner-sharing KTe6 octahedra. The corner-sharing octahedral tilt angles are 59°. In the second K site, K(2) is bonded in a 6-coordinate geometry to six equivalent Te(1) atoms. In the third K site, K(3) is bonded in a 6-coordinate geometry to six equivalent Te(1) atoms. Sb(1) is bonded in a 3-coordinate geometry to three equivalent Te(1) atoms. Te(1) is bonded to two equivalent K(1), two equivalent K(2), two equivalent K(3), and one Sb(1) atom to form a mixture of distorted edge, corner, and face-sharing TeK6Sb pentagonal bipyramids. is represented by the CIF file [CIF]
data_K3SbTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.471
_cell_length_b   10.471
_cell_length_c   10.471
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1148.045
_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  0.580  0.580  0.580  1.0
  K  K1  1  0.920  0.420  0.080  1.0
  K  K2  1  0.080  0.920  0.420  1.0
  K  K3  1  0.420  0.080  0.920  1.0
  K  K4  1  0.322  0.322  0.322  1.0
  K  K5  1  0.178  0.678  0.822  1.0
  K  K6  1  0.822  0.178  0.678  1.0
  K  K7  1  0.678  0.822  0.178  1.0
  K  K8  1  0.817  0.817  0.817  1.0
  K  K9  1  0.683  0.183  0.317  1.0
  K  K10  1  0.317  0.683  0.183  1.0
  K  K11  1  0.183  0.317  0.683  1.0
  Sb  Sb12  1  0.029  0.029  0.029  1.0
  Sb  Sb13  1  0.471  0.971  0.529  1.0
  Sb  Sb14  1  0.529  0.471  0.971  1.0
  Sb  Sb15  1  0.971  0.529  0.471  1.0
  Te  Te16  1  0.225  0.609  0.498  1.0
  Te  Te17  1  0.498  0.225  0.609  1.0
  Te  Te18  1  0.609  0.498  0.225  1.0
  Te  Te19  1  0.891  0.502  0.725  1.0
  Te  Te20  1  0.998  0.275  0.391  1.0
  Te  Te21  1  0.391  0.998  0.275  1.0
  Te  Te22  1  0.002  0.775  0.109  1.0
  Te  Te23  1  0.502  0.725  0.891  1.0
  Te  Te24  1  0.109  0.002  0.775  1.0
  Te  Te25  1  0.725  0.891  0.502  1.0
  Te  Te26  1  0.775  0.109  0.002  1.0
  Te  Te27  1  0.275  0.391  0.998  1.0
[/CIF]
.