The compound described by TiAl(WO4)2 crystallizes in the triclinic P1 space group. 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 three equivalent Al(1)O5 trigonal bipyramids, 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 20-41°. 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 distorted WO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with three equivalent Al(1)O5 trigonal bipyramids, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles are 20°. 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 three equivalent Al(1)O5 trigonal bipyramids, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles are 41°. Al(1) is bonded to one O(1), one O(2), one O(5), one O(6), and one O(8) atom to form distorted AlO5 trigonal bipyramids that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent W(1)O6 octahedra, and corners with three equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-62°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one W(1) and one Al(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ti(1), one W(1), and one Al(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one W(1), and one W(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ti(1), one W(1), and one W(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Ti(1), one W(2), and one Al(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one W(2) and one Al(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped 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 Ti(1), one W(1), one W(2), and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiAl(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.069
_cell_length_b   5.466
_cell_length_c   5.677
_cell_angle_alpha   106.347
_cell_angle_beta   85.520
_cell_angle_gamma   107.920
_symmetry_Int_Tables_number   1
_cell_volume   143.619
_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  0.959  0.132  0.222  1.0
  Al  Al1  1  0.400  0.047  0.661  1.0
  W  W2  1  0.717  0.594  0.410  1.0
  W  W3  1  0.262  0.633  0.055  1.0
  O  O4  1  0.622  0.858  0.677  1.0
  O  O5  1  0.731  0.256  0.486  1.0
  O  O6  1  0.670  0.789  0.156  1.0
  O  O7  1  0.873  0.364  0.069  1.0
  O  O8  1  0.183  0.896  0.939  1.0
  O  O9  1  0.340  0.357  0.801  1.0
  O  O10  1  0.300  0.402  0.297  1.0
  O  O11  1  0.143  0.868  0.405  1.0
[/CIF]
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The compound described by TiAl(WO4)2 crystallizes in the triclinic P1 space group. 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 three equivalent Al(1)O5 trigonal bipyramids, 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 20-41°. 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 distorted WO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with three equivalent Al(1)O5 trigonal bipyramids, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles are 20°. 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 three equivalent Al(1)O5 trigonal bipyramids, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles are 41°. Al(1) is bonded to one O(1), one O(2), one O(5), one O(6), and one O(8) atom to form distorted AlO5 trigonal bipyramids that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent W(1)O6 octahedra, and corners with three equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-62°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one W(1) and one Al(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ti(1), one W(1), and one Al(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one W(1), and one W(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ti(1), one W(1), and one W(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Ti(1), one W(2), and one Al(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one W(2) and one Al(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped 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 Ti(1), one W(1), one W(2), and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiAl(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.069
_cell_length_b   5.466
_cell_length_c   5.677
_cell_angle_alpha   106.347
_cell_angle_beta   85.520
_cell_angle_gamma   107.920
_symmetry_Int_Tables_number   1
_cell_volume   143.619
_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  0.959  0.132  0.222  1.0
  Al  Al1  1  0.400  0.047  0.661  1.0
  W  W2  1  0.717  0.594  0.410  1.0
  W  W3  1  0.262  0.633  0.055  1.0
  O  O4  1  0.622  0.858  0.677  1.0
  O  O5  1  0.731  0.256  0.486  1.0
  O  O6  1  0.670  0.789  0.156  1.0
  O  O7  1  0.873  0.364  0.069  1.0
  O  O8  1  0.183  0.896  0.939  1.0
  O  O9  1  0.340  0.357  0.801  1.0
  O  O10  1  0.300  0.402  0.297  1.0
  O  O11  1  0.143  0.868  0.405  1.0
[/CIF]
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