The structure described by Ti3TeO8 crystallizes in the triclinic P1 space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form corner-sharing TiO4 tetrahedra. In the second Ti site, Ti(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form corner-sharing TiO4 tetrahedra. In the third Ti site, Ti(3) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing TiO4 tetrahedra. Te(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ti(1) and one Te(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ti(2) and one Te(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ti(1) and one Ti(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ti(2) and one Ti(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Ti(2) and one Ti(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Ti(2) and one Te(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one Ti(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Ti(1) and one Te(1) atom. is represented by the CIF card [CIF]
data_Ti3TeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.499
_cell_length_b   5.501
_cell_length_c   7.343
_cell_angle_alpha   85.626
_cell_angle_beta   85.974
_cell_angle_gamma   77.884
_symmetry_Int_Tables_number   1
_cell_volume   216.202
_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
  Ti  Ti0  1  0.887  0.993  0.888  1.0
  Ti  Ti1  1  0.606  0.506  0.368  1.0
  Ti  Ti2  1  0.407  0.017  0.618  1.0
  Te  Te3  1  0.169  0.406  0.117  1.0
  O  O4  1  0.005  0.653  0.942  1.0
  O  O5  1  0.949  0.513  0.321  1.0
  O  O6  1  0.562  0.072  0.819  1.0
  O  O7  1  0.496  0.212  0.419  1.0
  O  O8  1  0.513  0.693  0.566  1.0
  O  O9  1  0.415  0.634  0.184  1.0
  O  O10  1  0.074  0.078  0.688  1.0
  O  O11  1  0.918  0.176  0.071  1.0
[/CIF]
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The structure described by Ti3TeO8 crystallizes in the triclinic P1 space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form corner-sharing TiO4 tetrahedra. In the second Ti site, Ti(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form corner-sharing TiO4 tetrahedra. In the third Ti site, Ti(3) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing TiO4 tetrahedra. Te(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ti(1) and one Te(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ti(2) and one Te(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ti(1) and one Ti(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ti(2) and one Ti(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Ti(2) and one Ti(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Ti(2) and one Te(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one Ti(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Ti(1) and one Te(1) atom. is represented by the CIF card [CIF]
data_Ti3TeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.499
_cell_length_b   5.501
_cell_length_c   7.343
_cell_angle_alpha   85.626
_cell_angle_beta   85.974
_cell_angle_gamma   77.884
_symmetry_Int_Tables_number   1
_cell_volume   216.202
_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
  Ti  Ti0  1  0.887  0.993  0.888  1.0
  Ti  Ti1  1  0.606  0.506  0.368  1.0
  Ti  Ti2  1  0.407  0.017  0.618  1.0
  Te  Te3  1  0.169  0.406  0.117  1.0
  O  O4  1  0.005  0.653  0.942  1.0
  O  O5  1  0.949  0.513  0.321  1.0
  O  O6  1  0.562  0.072  0.819  1.0
  O  O7  1  0.496  0.212  0.419  1.0
  O  O8  1  0.513  0.693  0.566  1.0
  O  O9  1  0.415  0.634  0.184  1.0
  O  O10  1  0.074  0.078  0.688  1.0
  O  O11  1  0.918  0.176  0.071  1.0
[/CIF]
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