The material structure described by TiAl(WO4)2 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/c space group. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with eight equivalent W(1)O6 octahedra and edges with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. W(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form WO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, corners with four equivalent Al(1)O6 octahedra, and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. Al(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form AlO6 octahedra that share corners with eight equivalent W(1)O6 octahedra and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(1), one W(1), and one Al(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ti(1) and two equivalent W(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(1), one W(1), and one Al(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent W(1) and one Al(1) atom. is represented by the CIF file [CIF]
data_TiAl(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.580
_cell_length_b   5.082
_cell_length_c   10.489
_cell_angle_alpha   61.792
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   262.140
_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  0.365  0.500  0.750  1.0
  Ti  Ti1  1  0.635  0.500  0.250  1.0
  Al  Al2  1  0.657  0.000  0.750  1.0
  Al  Al3  1  0.343  0.000  0.250  1.0
  W  W4  1  0.155  0.243  0.502  1.0
  W  W5  1  0.155  0.757  0.998  1.0
  W  W6  1  0.845  0.757  0.498  1.0
  W  W7  1  0.845  0.243  0.002  1.0
  O  O8  1  0.387  0.725  0.863  1.0
  O  O9  1  0.387  0.275  0.637  1.0
  O  O10  1  0.613  0.275  0.137  1.0
  O  O11  1  0.613  0.725  0.363  1.0
  O  O12  1  0.869  0.220  0.379  1.0
  O  O13  1  0.869  0.780  0.121  1.0
  O  O14  1  0.131  0.780  0.621  1.0
  O  O15  1  0.131  0.220  0.879  1.0
  O  O16  1  0.629  0.212  0.856  1.0
  O  O17  1  0.629  0.788  0.644  1.0
  O  O18  1  0.371  0.788  0.144  1.0
  O  O19  1  0.371  0.212  0.356  1.0
  O  O20  1  0.875  0.705  0.884  1.0
  O  O21  1  0.125  0.295  0.116  1.0
  O  O22  1  0.875  0.295  0.616  1.0
  O  O23  1  0.125  0.705  0.384  1.0
[/CIF]
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The material structure described by TiAl(WO4)2 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/c space group. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with eight equivalent W(1)O6 octahedra and edges with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. W(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form WO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, corners with four equivalent Al(1)O6 octahedra, and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. Al(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form AlO6 octahedra that share corners with eight equivalent W(1)O6 octahedra and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(1), one W(1), and one Al(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ti(1) and two equivalent W(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(1), one W(1), and one Al(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent W(1) and one Al(1) atom. is represented by the CIF file [CIF]
data_TiAl(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.580
_cell_length_b   5.082
_cell_length_c   10.489
_cell_angle_alpha   61.792
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   262.140
_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  0.365  0.500  0.750  1.0
  Ti  Ti1  1  0.635  0.500  0.250  1.0
  Al  Al2  1  0.657  0.000  0.750  1.0
  Al  Al3  1  0.343  0.000  0.250  1.0
  W  W4  1  0.155  0.243  0.502  1.0
  W  W5  1  0.155  0.757  0.998  1.0
  W  W6  1  0.845  0.757  0.498  1.0
  W  W7  1  0.845  0.243  0.002  1.0
  O  O8  1  0.387  0.725  0.863  1.0
  O  O9  1  0.387  0.275  0.637  1.0
  O  O10  1  0.613  0.275  0.137  1.0
  O  O11  1  0.613  0.725  0.363  1.0
  O  O12  1  0.869  0.220  0.379  1.0
  O  O13  1  0.869  0.780  0.121  1.0
  O  O14  1  0.131  0.780  0.621  1.0
  O  O15  1  0.131  0.220  0.879  1.0
  O  O16  1  0.629  0.212  0.856  1.0
  O  O17  1  0.629  0.788  0.644  1.0
  O  O18  1  0.371  0.788  0.144  1.0
  O  O19  1  0.371  0.212  0.356  1.0
  O  O20  1  0.875  0.705  0.884  1.0
  O  O21  1  0.125  0.295  0.116  1.0
  O  O22  1  0.875  0.295  0.616  1.0
  O  O23  1  0.125  0.705  0.384  1.0
[/CIF]
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