The material described by TiTe3O8 crystallizes in the cubic Ia-3 space group. Ti(1) is bonded in an octahedral geometry to six equivalent O(2) atoms. Te(1) is bonded in a distorted see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to three equivalent Te(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ti(1) and one Te(1) atom. is represented by the CIF card [CIF]
data_TiTe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.536
_cell_length_b   9.536
_cell_length_c   9.536
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.472
_symmetry_Int_Tables_number   1
_cell_volume   667.476
_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
  Ti  Ti0  1  0.500  0.000  1.000  1.0
  Ti  Ti1  1  1.000  1.000  0.500  1.0
  Ti  Ti2  1  0.500  0.500  0.500  1.0
  Ti  Ti3  1  1.000  0.500  1.000  1.0
  Te  Te4  1  0.790  0.540  0.250  1.0
  Te  Te5  1  0.540  0.250  0.790  1.0
  Te  Te6  1  0.040  0.250  0.290  1.0
  Te  Te7  1  0.750  0.210  0.460  1.0
  Te  Te8  1  0.290  0.040  0.250  1.0
  Te  Te9  1  0.250  0.290  0.040  1.0
  Te  Te10  1  0.210  0.460  0.750  1.0
  Te  Te11  1  0.460  0.750  0.210  1.0
  Te  Te12  1  0.750  0.710  0.960  1.0
  Te  Te13  1  0.710  0.960  0.750  1.0
  Te  Te14  1  0.250  0.790  0.540  1.0
  Te  Te15  1  0.960  0.750  0.710  1.0
  O  O16  1  0.656  0.500  0.000  1.0
  O  O17  1  0.844  0.844  0.844  1.0
  O  O18  1  0.000  0.656  0.500  1.0
  O  O19  1  0.500  0.000  0.656  1.0
  O  O20  1  0.344  0.500  1.000  1.0
  O  O21  1  0.156  0.156  0.156  1.0
  O  O22  1  1.000  0.344  0.500  1.0
  O  O23  1  0.500  1.000  0.344  1.0
  O  O24  1  0.163  0.234  0.695  1.0
  O  O25  1  0.039  0.468  0.805  1.0
  O  O26  1  0.337  0.032  0.071  1.0
  O  O27  1  0.805  0.039  0.468  1.0
  O  O28  1  0.234  0.695  0.163  1.0
  O  O29  1  0.266  0.429  0.461  1.0
  O  O30  1  0.429  0.461  0.266  1.0
  O  O31  1  0.468  0.805  0.039  1.0
  O  O32  1  0.539  0.734  0.571  1.0
  O  O33  1  0.305  0.837  0.766  1.0
  O  O34  1  0.968  0.929  0.663  1.0
  O  O35  1  0.929  0.663  0.968  1.0
  O  O36  1  0.532  0.195  0.961  1.0
  O  O37  1  0.571  0.539  0.734  1.0
  O  O38  1  0.734  0.571  0.539  1.0
  O  O39  1  0.766  0.305  0.837  1.0
  O  O40  1  0.195  0.961  0.532  1.0
  O  O41  1  0.663  0.968  0.929  1.0
  O  O42  1  0.961  0.532  0.195  1.0
  O  O43  1  0.837  0.766  0.305  1.0
  O  O44  1  0.461  0.266  0.429  1.0
  O  O45  1  0.695  0.163  0.234  1.0
  O  O46  1  0.032  0.071  0.337  1.0
  O  O47  1  0.071  0.337  0.032  1.0
[/CIF]
.
The material described by TiTe3O8 crystallizes in the cubic Ia-3 space group. Ti(1) is bonded in an octahedral geometry to six equivalent O(2) atoms. Te(1) is bonded in a distorted see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to three equivalent Te(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ti(1) and one Te(1) atom. is represented by the CIF card [CIF]
data_TiTe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.536
_cell_length_b   9.536
_cell_length_c   9.536
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.472
_symmetry_Int_Tables_number   1
_cell_volume   667.476
_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
  Ti  Ti0  1  0.500  0.000  1.000  1.0
  Ti  Ti1  1  1.000  1.000  0.500  1.0
  Ti  Ti2  1  0.500  0.500  0.500  1.0
  Ti  Ti3  1  1.000  0.500  1.000  1.0
  Te  Te4  1  0.790  0.540  0.250  1.0
  Te  Te5  1  0.540  0.250  0.790  1.0
  Te  Te6  1  0.040  0.250  0.290  1.0
  Te  Te7  1  0.750  0.210  0.460  1.0
  Te  Te8  1  0.290  0.040  0.250  1.0
  Te  Te9  1  0.250  0.290  0.040  1.0
  Te  Te10  1  0.210  0.460  0.750  1.0
  Te  Te11  1  0.460  0.750  0.210  1.0
  Te  Te12  1  0.750  0.710  0.960  1.0
  Te  Te13  1  0.710  0.960  0.750  1.0
  Te  Te14  1  0.250  0.790  0.540  1.0
  Te  Te15  1  0.960  0.750  0.710  1.0
  O  O16  1  0.656  0.500  0.000  1.0
  O  O17  1  0.844  0.844  0.844  1.0
  O  O18  1  0.000  0.656  0.500  1.0
  O  O19  1  0.500  0.000  0.656  1.0
  O  O20  1  0.344  0.500  1.000  1.0
  O  O21  1  0.156  0.156  0.156  1.0
  O  O22  1  1.000  0.344  0.500  1.0
  O  O23  1  0.500  1.000  0.344  1.0
  O  O24  1  0.163  0.234  0.695  1.0
  O  O25  1  0.039  0.468  0.805  1.0
  O  O26  1  0.337  0.032  0.071  1.0
  O  O27  1  0.805  0.039  0.468  1.0
  O  O28  1  0.234  0.695  0.163  1.0
  O  O29  1  0.266  0.429  0.461  1.0
  O  O30  1  0.429  0.461  0.266  1.0
  O  O31  1  0.468  0.805  0.039  1.0
  O  O32  1  0.539  0.734  0.571  1.0
  O  O33  1  0.305  0.837  0.766  1.0
  O  O34  1  0.968  0.929  0.663  1.0
  O  O35  1  0.929  0.663  0.968  1.0
  O  O36  1  0.532  0.195  0.961  1.0
  O  O37  1  0.571  0.539  0.734  1.0
  O  O38  1  0.734  0.571  0.539  1.0
  O  O39  1  0.766  0.305  0.837  1.0
  O  O40  1  0.195  0.961  0.532  1.0
  O  O41  1  0.663  0.968  0.929  1.0
  O  O42  1  0.961  0.532  0.195  1.0
  O  O43  1  0.837  0.766  0.305  1.0
  O  O44  1  0.461  0.266  0.429  1.0
  O  O45  1  0.695  0.163  0.234  1.0
  O  O46  1  0.032  0.071  0.337  1.0
  O  O47  1  0.071  0.337  0.032  1.0
[/CIF]
.