data_KTe3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTe3O
_chemical_formula_sum   'K1 Te3 O1'
_cell_volume   124.35
_cell_formula_units_Z   1
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  0.5  0.5  0.5  1.0
  Te  Te1  1  0.0  0.5  0.0  1.0
  Te  Te2  1  0.0  0.0  0.5  1.0
  Te  Te3  1  0.5  0.0  0.0  1.0
  O  O4  1  0.0  0.0  0.0  1.0

data_KTe3O
_symmetry_space_group_name_H-M   Pm-3m
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   221
_chemical_formula_structural   KTe3O
_chemical_formula_sum   'K1 Te3 O1'
_cell_volume   124.35
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-y, x, z'
  4  'y, -x, -z'
  5  '-x, -y, z'
  6  'x, y, -z'
  7  'y, -x, z'
  8  '-y, x, -z'
  9  'x, -y, -z'
  10  '-x, y, z'
  11  '-y, -x, -z'
  12  'y, x, z'
  13  '-x, y, -z'
  14  'x, -y, z'
  15  'y, x, -z'
  16  '-y, -x, z'
  17  'z, x, y'
  18  '-z, -x, -y'
  19  'z, -y, x'
  20  '-z, y, -x'
  21  'z, -x, -y'
  22  '-z, x, y'
  23  'z, y, -x'
  24  '-z, -y, x'
  25  '-z, x, -y'
  26  'z, -x, y'
  27  '-z, -y, -x'
  28  'z, y, x'
  29  '-z, -x, y'
  30  'z, x, -y'
  31  '-z, y, x'
  32  'z, -y, -x'
  33  'y, z, x'
  34  '-y, -z, -x'
  35  'x, z, -y'
  36  '-x, -z, y'
  37  '-y, z, -x'
  38  'y, -z, x'
  39  '-x, z, y'
  40  'x, -z, -y'
  41  '-y, -z, x'
  42  'y, z, -x'
  43  '-x, -z, -y'
  44  'x, z, y'
  45  'y, -z, -x'
  46  '-y, z, x'
  47  'x, -z, y'
  48  '-x, z, -y'
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  0.0  0.0  0.0  1.0
  Te  Te1  3  0.0  0.5  0.5  1.0
  O  O2  1  0.5  0.5  0.5  1.0

K Te Te Te O
KTe3O is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. K(1) is bonded to twelve equivalent Te(1) atoms to form KTe12 cuboctahedra that share corners with twelve equivalent K(1)Te12 cuboctahedra, faces with six equivalent K(1)Te12 cuboctahedra, and faces with eight equivalent O(1)Te6 octahedra. There are a spread of K(1)-Te(1) bond distances ranging from 3.50-3.56 Å. Te(1) is bonded in a distorted linear geometry to four equivalent K(1) and two equivalent O(1) atoms. There is one shorter (2.47 Å) and one longer (2.52 Å) Te(1)-O(1) bond length. O(1) is bonded to six equivalent Te(1) atoms to form OTe6 octahedra that share corners with six equivalent O(1)Te6 octahedra and faces with eight equivalent K(1)Te12 cuboctahedra. The corner-sharing octahedra are not tilted.