The material described by YTi(WO4)2 crystallizes in the triclinic P1 space group. Y(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form distorted YO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, corners with four equivalent W(1)O6 octahedra, and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-67°. Ti(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one W(1)O6 octahedra,  a cornercorner with one W(2)O6 octahedra, corners with four equivalent Y(1)O6 octahedra, edges with two equivalent W(1)O6 octahedra, and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-67°. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form WO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with four equivalent Y(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-61°. In the second W site, W(2) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted WO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with four equivalent Y(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-64°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Y(1) and one W(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Y(1), one Ti(1), and one W(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ti(1), one W(1), and one W(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Y(1), one Ti(1), one W(1), and one W(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Y(1), one Ti(1), and one W(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Y(1) and one W(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one W(1), and one W(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Y(1), one Ti(1), one W(1), and one W(2) atom. is represented by the CIF file [CIF]
data_YTi(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.066
_cell_length_b   5.561
_cell_length_c   6.127
_cell_angle_alpha   104.836
_cell_angle_beta   90.111
_cell_angle_gamma   107.054
_symmetry_Int_Tables_number   1
_cell_volume   158.993
_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
  Y  Y0  1  0.504  0.107  0.745  1.0
  Ti  Ti1  1  0.986  0.090  0.247  1.0
  W  W2  1  0.720  0.575  0.370  1.0
  W  W3  1  0.224  0.613  0.060  1.0
  O  O4  1  0.662  0.792  0.648  1.0
  O  O5  1  0.782  0.270  0.468  1.0
  O  O6  1  0.635  0.802  0.162  1.0
  O  O7  1  0.823  0.353  0.050  1.0
  O  O8  1  0.177  0.923  0.976  1.0
  O  O9  1  0.271  0.403  0.795  1.0
  O  O10  1  0.291  0.400  0.275  1.0
  O  O11  1  0.126  0.868  0.381  1.0
[/CIF]
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The material described by YTi(WO4)2 crystallizes in the triclinic P1 space group. Y(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form distorted YO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, corners with four equivalent W(1)O6 octahedra, and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-67°. Ti(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one W(1)O6 octahedra,  a cornercorner with one W(2)O6 octahedra, corners with four equivalent Y(1)O6 octahedra, edges with two equivalent W(1)O6 octahedra, and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-67°. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form WO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with four equivalent Y(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-61°. In the second W site, W(2) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted WO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with four equivalent Y(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-64°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Y(1) and one W(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Y(1), one Ti(1), and one W(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ti(1), one W(1), and one W(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Y(1), one Ti(1), one W(1), and one W(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Y(1), one Ti(1), and one W(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Y(1) and one W(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one W(1), and one W(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Y(1), one Ti(1), one W(1), and one W(2) atom. is represented by the CIF file [CIF]
data_YTi(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.066
_cell_length_b   5.561
_cell_length_c   6.127
_cell_angle_alpha   104.836
_cell_angle_beta   90.111
_cell_angle_gamma   107.054
_symmetry_Int_Tables_number   1
_cell_volume   158.993
_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
  Y  Y0  1  0.504  0.107  0.745  1.0
  Ti  Ti1  1  0.986  0.090  0.247  1.0
  W  W2  1  0.720  0.575  0.370  1.0
  W  W3  1  0.224  0.613  0.060  1.0
  O  O4  1  0.662  0.792  0.648  1.0
  O  O5  1  0.782  0.270  0.468  1.0
  O  O6  1  0.635  0.802  0.162  1.0
  O  O7  1  0.823  0.353  0.050  1.0
  O  O8  1  0.177  0.923  0.976  1.0
  O  O9  1  0.271  0.403  0.795  1.0
  O  O10  1  0.291  0.400  0.275  1.0
  O  O11  1  0.126  0.868  0.381  1.0
[/CIF]
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