The material described by MoAl(WO4)2 crystallizes in the triclinic P1 space group. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom. In the second W site, W(2) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. Mo(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 MoO6 octahedra that share corners with three equivalent Al(1)O5 trigonal bipyramids. Al(1) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form distorted AlO5 trigonal bipyramids that share corners with three equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-67°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 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 W(1), one Mo(1), and one Al(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one W(1), one W(2), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one W(1), one W(2), one Mo(1), and one Al(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one W(2), one Mo(1), and one Al(1) atom. In the sixth O site, O(6) is bonded in a bent 120 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 W(1), one W(2), and one Mo(1) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one W(1), one W(2), and one Mo(1) atom. is represented by the CIF file [CIF]
data_AlMo(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.179
_cell_length_b   5.557
_cell_length_c   5.659
_cell_angle_alpha   74.372
_cell_angle_beta   84.277
_cell_angle_gamma   73.670
_symmetry_Int_Tables_number   1
_cell_volume   150.481
_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
  Al  Al0  1  0.444  0.151  0.214  1.0
  Mo  Mo1  1  0.035  0.092  0.790  1.0
  W  W2  1  0.323  0.578  0.602  1.0
  W  W3  1  0.748  0.620  0.957  1.0
  O  O4  1  0.340  0.848  0.332  1.0
  O  O5  1  0.267  0.286  0.484  1.0
  O  O6  1  0.388  0.790  0.835  1.0
  O  O7  1  0.190  0.344  0.959  1.0
  O  O8  1  0.755  0.931  0.066  1.0
  O  O9  1  0.673  0.356  0.209  1.0
  O  O10  1  0.695  0.408  0.713  1.0
  O  O11  1  0.941  0.793  0.659  1.0
[/CIF]
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The material described by MoAl(WO4)2 crystallizes in the triclinic P1 space group. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom. In the second W site, W(2) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. Mo(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 MoO6 octahedra that share corners with three equivalent Al(1)O5 trigonal bipyramids. Al(1) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form distorted AlO5 trigonal bipyramids that share corners with three equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-67°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 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 W(1), one Mo(1), and one Al(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one W(1), one W(2), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one W(1), one W(2), one Mo(1), and one Al(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one W(2), one Mo(1), and one Al(1) atom. In the sixth O site, O(6) is bonded in a bent 120 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 W(1), one W(2), and one Mo(1) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one W(1), one W(2), and one Mo(1) atom. is represented by the CIF file [CIF]
data_AlMo(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.179
_cell_length_b   5.557
_cell_length_c   5.659
_cell_angle_alpha   74.372
_cell_angle_beta   84.277
_cell_angle_gamma   73.670
_symmetry_Int_Tables_number   1
_cell_volume   150.481
_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
  Al  Al0  1  0.444  0.151  0.214  1.0
  Mo  Mo1  1  0.035  0.092  0.790  1.0
  W  W2  1  0.323  0.578  0.602  1.0
  W  W3  1  0.748  0.620  0.957  1.0
  O  O4  1  0.340  0.848  0.332  1.0
  O  O5  1  0.267  0.286  0.484  1.0
  O  O6  1  0.388  0.790  0.835  1.0
  O  O7  1  0.190  0.344  0.959  1.0
  O  O8  1  0.755  0.931  0.066  1.0
  O  O9  1  0.673  0.356  0.209  1.0
  O  O10  1  0.695  0.408  0.713  1.0
  O  O11  1  0.941  0.793  0.659  1.0
[/CIF]
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