The structure described by Ti(SeO3)2 crystallizes in the monoclinic P2_1/c space group. Ti(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ti(1) and one Se(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ti(1) and one Se(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ti(1) and one Se(1) atom. is represented by the CIF card [CIF]
data_Ti(SeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.764
_cell_length_b   6.783
_cell_length_c   8.341
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   110.342
_symmetry_Int_Tables_number   1
_cell_volume   252.730
_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
  Ti  Ti0  1  0.000  0.500  0.500  1.0
  Ti  Ti1  1  0.500  0.000  0.000  1.0
  Se  Se2  1  0.690  0.824  0.358  1.0
  Se  Se3  1  0.810  0.676  0.858  1.0
  Se  Se4  1  0.310  0.176  0.642  1.0
  Se  Se5  1  0.190  0.324  0.142  1.0
  O  O6  1  0.742  0.907  0.846  1.0
  O  O7  1  0.758  0.593  0.346  1.0
  O  O8  1  0.258  0.093  0.154  1.0
  O  O9  1  0.242  0.407  0.654  1.0
  O  O10  1  0.150  0.749  0.948  1.0
  O  O11  1  0.350  0.751  0.448  1.0
  O  O12  1  0.090  0.329  0.339  1.0
  O  O13  1  0.410  0.171  0.839  1.0
  O  O14  1  0.910  0.671  0.661  1.0
  O  O15  1  0.590  0.829  0.161  1.0
  O  O16  1  0.650  0.249  0.552  1.0
  O  O17  1  0.850  0.251  0.052  1.0
[/CIF]
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The structure described by Ti(SeO3)2 crystallizes in the monoclinic P2_1/c space group. Ti(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ti(1) and one Se(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ti(1) and one Se(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ti(1) and one Se(1) atom. is represented by the CIF card [CIF]
data_Ti(SeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.764
_cell_length_b   6.783
_cell_length_c   8.341
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   110.342
_symmetry_Int_Tables_number   1
_cell_volume   252.730
_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
  Ti  Ti0  1  0.000  0.500  0.500  1.0
  Ti  Ti1  1  0.500  0.000  0.000  1.0
  Se  Se2  1  0.690  0.824  0.358  1.0
  Se  Se3  1  0.810  0.676  0.858  1.0
  Se  Se4  1  0.310  0.176  0.642  1.0
  Se  Se5  1  0.190  0.324  0.142  1.0
  O  O6  1  0.742  0.907  0.846  1.0
  O  O7  1  0.758  0.593  0.346  1.0
  O  O8  1  0.258  0.093  0.154  1.0
  O  O9  1  0.242  0.407  0.654  1.0
  O  O10  1  0.150  0.749  0.948  1.0
  O  O11  1  0.350  0.751  0.448  1.0
  O  O12  1  0.090  0.329  0.339  1.0
  O  O13  1  0.410  0.171  0.839  1.0
  O  O14  1  0.910  0.671  0.661  1.0
  O  O15  1  0.590  0.829  0.161  1.0
  O  O16  1  0.650  0.249  0.552  1.0
  O  O17  1  0.850  0.251  0.052  1.0
[/CIF]
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