The structure described by Ti7(WO5)6 crystallizes in the trigonal P3 space group. There are seven inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(9) atoms. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to three equivalent O(10) and three equivalent O(5) atoms. In the third Ti site, Ti(3) is bonded to three equivalent O(5) and three equivalent O(6) atoms to form TiO6 octahedra that share corners with three equivalent W(6)O6 octahedra. The corner-sharing octahedral tilt angles are 32°. In the fourth Ti site, Ti(4) is bonded in a 6-coordinate geometry to three equivalent O(10) and three equivalent O(5) atoms. In the fifth Ti site, Ti(5) is bonded in a 6-coordinate geometry to three equivalent O(4) and three equivalent O(8) atoms. In the sixth Ti site, Ti(6) is bonded to three equivalent O(4) and three equivalent O(8) atoms to form distorted TiO6 octahedra that share corners with three equivalent W(3)O6 octahedra and corners with three equivalent W(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-47°. In the seventh Ti site, Ti(7) is bonded to three equivalent O(3) and three equivalent O(9) atoms to form distorted TiO6 octahedra that share corners with three equivalent W(1)O6 octahedra and corners with three equivalent W(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-48°. There are six inequivalent W sites. In the first W site, W(1) is bonded to three equivalent O(3) and three equivalent O(7) atoms to form WO6 octahedra that share corners with three equivalent Ti(7)O6 octahedra and corners with three equivalent W(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-27°. In the second W site, W(2) is bonded to three equivalent O(1) and three equivalent O(10) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 34°. In the third W site, W(3) is bonded to three equivalent O(2) and three equivalent O(8) atoms to form WO6 octahedra that share corners with three equivalent Ti(6)O6 octahedra and corners with three equivalent W(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-27°. In the fourth W site, W(4) is bonded to three equivalent O(1) and three equivalent O(9) atoms to form WO6 octahedra that share corners with three equivalent Ti(7)O6 octahedra and corners with three equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-48°. In the fifth W site, W(5) is bonded to three equivalent O(2) and three equivalent O(7) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 25°. In the sixth W site, W(6) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form WO6 octahedra that share corners with three equivalent Ti(3)O6 octahedra and corners with three equivalent Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-47°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one W(2) and one W(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one W(3) and one W(5) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(7), and one W(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ti(5), one Ti(6), and one W(6) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Ti(2), one Ti(3), and one Ti(4) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Ti(3) and one W(6) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one W(1) and one W(5) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Ti(5), one Ti(6), and one W(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(7), and one W(4) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Ti(2), one Ti(4), and one W(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti7(WO5)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.236
_cell_length_b   5.236
_cell_length_c   23.463
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   557.063
_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  0.000  0.000  0.283  1.0
  Ti  Ti1  1  0.000  0.000  0.013  1.0
  Ti  Ti2  1  0.000  0.000  0.891  1.0
  Ti  Ti3  1  0.667  0.333  0.982  1.0
  Ti  Ti4  1  0.667  0.333  0.719  1.0
  Ti  Ti5  1  0.000  0.000  0.693  1.0
  Ti  Ti6  1  0.667  0.333  0.308  1.0
  W  W7  1  0.000  0.000  0.407  1.0
  W  W8  1  0.667  0.333  0.111  1.0
  W  W9  1  0.667  0.333  0.594  1.0
  W  W10  1  0.333  0.667  0.203  1.0
  W  W11  1  0.333  0.667  0.500  1.0
  W  W12  1  0.333  0.667  0.804  1.0
  O  O13  1  0.606  0.608  0.150  1.0
  O  O14  1  0.423  0.000  0.550  1.0
  O  O15  1  0.763  0.680  0.348  1.0
  O  O16  1  0.645  0.658  0.748  1.0
  O  O17  1  0.311  0.074  0.948  1.0
  O  O18  1  0.663  0.933  0.845  1.0
  O  O19  1  0.665  0.909  0.451  1.0
  O  O20  1  0.348  0.249  0.654  1.0
  O  O21  1  0.663  0.992  0.254  1.0
  O  O22  1  0.906  0.646  0.049  1.0
  O  O23  1  0.739  0.094  0.049  1.0
  O  O24  1  0.269  0.337  0.845  1.0
  O  O25  1  0.751  0.099  0.654  1.0
  O  O26  1  0.329  0.337  0.254  1.0
  O  O27  1  0.091  0.756  0.451  1.0
  O  O28  1  0.578  0.577  0.550  1.0
  O  O29  1  0.342  0.987  0.748  1.0
  O  O30  1  0.917  0.237  0.348  1.0
  O  O31  1  0.392  0.998  0.150  1.0
  O  O32  1  0.926  0.238  0.948  1.0
  O  O33  1  0.762  0.689  0.948  1.0
  O  O34  1  0.013  0.355  0.748  1.0
  O  O35  1  0.320  0.083  0.348  1.0
  O  O36  1  1.000  0.422  0.550  1.0
  O  O37  1  0.002  0.394  0.150  1.0
  O  O38  1  0.354  0.261  0.049  1.0
  O  O39  1  0.008  0.671  0.254  1.0
  O  O40  1  0.901  0.652  0.654  1.0
  O  O41  1  0.244  0.335  0.451  1.0
  O  O42  1  0.067  0.731  0.845  1.0
[/CIF]
.
The structure described by Ti7(WO5)6 crystallizes in the trigonal P3 space group. There are seven inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(9) atoms. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to three equivalent O(10) and three equivalent O(5) atoms. In the third Ti site, Ti(3) is bonded to three equivalent O(5) and three equivalent O(6) atoms to form TiO6 octahedra that share corners with three equivalent W(6)O6 octahedra. The corner-sharing octahedral tilt angles are 32°. In the fourth Ti site, Ti(4) is bonded in a 6-coordinate geometry to three equivalent O(10) and three equivalent O(5) atoms. In the fifth Ti site, Ti(5) is bonded in a 6-coordinate geometry to three equivalent O(4) and three equivalent O(8) atoms. In the sixth Ti site, Ti(6) is bonded to three equivalent O(4) and three equivalent O(8) atoms to form distorted TiO6 octahedra that share corners with three equivalent W(3)O6 octahedra and corners with three equivalent W(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-47°. In the seventh Ti site, Ti(7) is bonded to three equivalent O(3) and three equivalent O(9) atoms to form distorted TiO6 octahedra that share corners with three equivalent W(1)O6 octahedra and corners with three equivalent W(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-48°. There are six inequivalent W sites. In the first W site, W(1) is bonded to three equivalent O(3) and three equivalent O(7) atoms to form WO6 octahedra that share corners with three equivalent Ti(7)O6 octahedra and corners with three equivalent W(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-27°. In the second W site, W(2) is bonded to three equivalent O(1) and three equivalent O(10) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 34°. In the third W site, W(3) is bonded to three equivalent O(2) and three equivalent O(8) atoms to form WO6 octahedra that share corners with three equivalent Ti(6)O6 octahedra and corners with three equivalent W(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-27°. In the fourth W site, W(4) is bonded to three equivalent O(1) and three equivalent O(9) atoms to form WO6 octahedra that share corners with three equivalent Ti(7)O6 octahedra and corners with three equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-48°. In the fifth W site, W(5) is bonded to three equivalent O(2) and three equivalent O(7) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 25°. In the sixth W site, W(6) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form WO6 octahedra that share corners with three equivalent Ti(3)O6 octahedra and corners with three equivalent Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-47°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one W(2) and one W(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one W(3) and one W(5) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(7), and one W(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ti(5), one Ti(6), and one W(6) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Ti(2), one Ti(3), and one Ti(4) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Ti(3) and one W(6) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one W(1) and one W(5) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Ti(5), one Ti(6), and one W(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(7), and one W(4) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Ti(2), one Ti(4), and one W(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti7(WO5)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.236
_cell_length_b   5.236
_cell_length_c   23.463
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   557.063
_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  0.000  0.000  0.283  1.0
  Ti  Ti1  1  0.000  0.000  0.013  1.0
  Ti  Ti2  1  0.000  0.000  0.891  1.0
  Ti  Ti3  1  0.667  0.333  0.982  1.0
  Ti  Ti4  1  0.667  0.333  0.719  1.0
  Ti  Ti5  1  0.000  0.000  0.693  1.0
  Ti  Ti6  1  0.667  0.333  0.308  1.0
  W  W7  1  0.000  0.000  0.407  1.0
  W  W8  1  0.667  0.333  0.111  1.0
  W  W9  1  0.667  0.333  0.594  1.0
  W  W10  1  0.333  0.667  0.203  1.0
  W  W11  1  0.333  0.667  0.500  1.0
  W  W12  1  0.333  0.667  0.804  1.0
  O  O13  1  0.606  0.608  0.150  1.0
  O  O14  1  0.423  0.000  0.550  1.0
  O  O15  1  0.763  0.680  0.348  1.0
  O  O16  1  0.645  0.658  0.748  1.0
  O  O17  1  0.311  0.074  0.948  1.0
  O  O18  1  0.663  0.933  0.845  1.0
  O  O19  1  0.665  0.909  0.451  1.0
  O  O20  1  0.348  0.249  0.654  1.0
  O  O21  1  0.663  0.992  0.254  1.0
  O  O22  1  0.906  0.646  0.049  1.0
  O  O23  1  0.739  0.094  0.049  1.0
  O  O24  1  0.269  0.337  0.845  1.0
  O  O25  1  0.751  0.099  0.654  1.0
  O  O26  1  0.329  0.337  0.254  1.0
  O  O27  1  0.091  0.756  0.451  1.0
  O  O28  1  0.578  0.577  0.550  1.0
  O  O29  1  0.342  0.987  0.748  1.0
  O  O30  1  0.917  0.237  0.348  1.0
  O  O31  1  0.392  0.998  0.150  1.0
  O  O32  1  0.926  0.238  0.948  1.0
  O  O33  1  0.762  0.689  0.948  1.0
  O  O34  1  0.013  0.355  0.748  1.0
  O  O35  1  0.320  0.083  0.348  1.0
  O  O36  1  1.000  0.422  0.550  1.0
  O  O37  1  0.002  0.394  0.150  1.0
  O  O38  1  0.354  0.261  0.049  1.0
  O  O39  1  0.008  0.671  0.254  1.0
  O  O40  1  0.901  0.652  0.654  1.0
  O  O41  1  0.244  0.335  0.451  1.0
  O  O42  1  0.067  0.731  0.845  1.0
[/CIF]
.