The crystal structure described by TiWO4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(4), one O(6), two equivalent O(1), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with four equivalent Ti(2)O6 octahedra, corners with four equivalent W(2)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the second Ti site, Ti(2) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(5) and four equivalent O(2) atoms to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. In the second W site, W(2) is bonded to one O(2), one O(3), two equivalent O(5), and two equivalent O(6) atoms to form WO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, corners with four equivalent W(1)O6 octahedra, and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ti(2) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one W(2) and two equivalent W(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ti(1) and one W(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Ti(1) and two equivalent Ti(2) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one W(1) and two equivalent W(2) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent W(2) atoms. is represented by the CIF card [CIF]
data_TiWO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.124
_cell_length_b   4.714
_cell_length_c   14.182
_cell_angle_alpha   89.953
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   208.835
_cell_formula_units_Z   3
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  0.998  0.341  1.0
  Ti  Ti1  1  0.000  0.002  0.659  1.0
  Ti  Ti2  1  0.500  0.500  0.500  1.0
  W  W3  1  0.000  0.000  0.000  1.0
  W  W4  1  0.500  0.500  0.175  1.0
  W  W5  1  0.500  0.500  0.825  1.0
  O  O6  1  0.500  0.812  0.403  1.0
  O  O7  1  0.500  0.792  0.068  1.0
  O  O8  1  0.500  0.807  0.724  1.0
  O  O9  1  0.000  0.687  0.564  1.0
  O  O10  1  0.000  0.705  0.895  1.0
  O  O11  1  0.000  0.711  0.242  1.0
  O  O12  1  0.000  0.313  0.436  1.0
  O  O13  1  0.000  0.295  0.105  1.0
  O  O14  1  0.000  0.289  0.758  1.0
  O  O15  1  0.500  0.188  0.597  1.0
  O  O16  1  0.500  0.193  0.276  1.0
  O  O17  1  0.500  0.208  0.932  1.0
[/CIF]
.
The crystal structure described by TiWO4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(4), one O(6), two equivalent O(1), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with four equivalent Ti(2)O6 octahedra, corners with four equivalent W(2)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the second Ti site, Ti(2) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(5) and four equivalent O(2) atoms to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. In the second W site, W(2) is bonded to one O(2), one O(3), two equivalent O(5), and two equivalent O(6) atoms to form WO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, corners with four equivalent W(1)O6 octahedra, and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ti(2) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one W(2) and two equivalent W(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ti(1) and one W(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Ti(1) and two equivalent Ti(2) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one W(1) and two equivalent W(2) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent W(2) atoms. is represented by the CIF card [CIF]
data_TiWO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.124
_cell_length_b   4.714
_cell_length_c   14.182
_cell_angle_alpha   89.953
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   208.835
_cell_formula_units_Z   3
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  0.998  0.341  1.0
  Ti  Ti1  1  0.000  0.002  0.659  1.0
  Ti  Ti2  1  0.500  0.500  0.500  1.0
  W  W3  1  0.000  0.000  0.000  1.0
  W  W4  1  0.500  0.500  0.175  1.0
  W  W5  1  0.500  0.500  0.825  1.0
  O  O6  1  0.500  0.812  0.403  1.0
  O  O7  1  0.500  0.792  0.068  1.0
  O  O8  1  0.500  0.807  0.724  1.0
  O  O9  1  0.000  0.687  0.564  1.0
  O  O10  1  0.000  0.705  0.895  1.0
  O  O11  1  0.000  0.711  0.242  1.0
  O  O12  1  0.000  0.313  0.436  1.0
  O  O13  1  0.000  0.295  0.105  1.0
  O  O14  1  0.000  0.289  0.758  1.0
  O  O15  1  0.500  0.188  0.597  1.0
  O  O16  1  0.500  0.193  0.276  1.0
  O  O17  1  0.500  0.208  0.932  1.0
[/CIF]
.