The crystal structure described by CuAl(WO4)2 crystallizes in the triclinic P-1 space group. W(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted WO6 octahedra that share 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 33-54°. Cu(1) is bonded in a linear geometry to two equivalent O(3) and two equivalent O(4) atoms. Al(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form AlO6 octahedra that share corners with eight equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-54°. There are four 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 bent 150 degrees geometry to one W(1) and one Al(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent W(1) and one Cu(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent W(1), one Cu(1), and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlCu(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.072
_cell_length_b   5.602
_cell_length_c   5.729
_cell_angle_alpha   109.792
_cell_angle_beta   90.734
_cell_angle_gamma   113.680
_symmetry_Int_Tables_number   1
_cell_volume   138.162
_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  0.000  0.000  0.500  1.0
  Cu  Cu1  1  0.500  0.000  0.000  1.0
  W  W2  1  0.249  0.498  0.184  1.0
  W  W3  1  0.751  0.502  0.816  1.0
  O  O4  1  0.210  0.780  0.437  1.0
  O  O5  1  0.224  0.241  0.324  1.0
  O  O6  1  0.157  0.702  0.961  1.0
  O  O7  1  0.321  0.288  0.813  1.0
  O  O8  1  0.776  0.759  0.676  1.0
  O  O9  1  0.790  0.220  0.563  1.0
  O  O10  1  0.843  0.298  0.039  1.0
  O  O11  1  0.679  0.712  0.187  1.0
[/CIF]
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The crystal structure described by CuAl(WO4)2 crystallizes in the triclinic P-1 space group. W(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted WO6 octahedra that share 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 33-54°. Cu(1) is bonded in a linear geometry to two equivalent O(3) and two equivalent O(4) atoms. Al(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form AlO6 octahedra that share corners with eight equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-54°. There are four 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 bent 150 degrees geometry to one W(1) and one Al(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent W(1) and one Cu(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent W(1), one Cu(1), and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlCu(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.072
_cell_length_b   5.602
_cell_length_c   5.729
_cell_angle_alpha   109.792
_cell_angle_beta   90.734
_cell_angle_gamma   113.680
_symmetry_Int_Tables_number   1
_cell_volume   138.162
_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  0.000  0.000  0.500  1.0
  Cu  Cu1  1  0.500  0.000  0.000  1.0
  W  W2  1  0.249  0.498  0.184  1.0
  W  W3  1  0.751  0.502  0.816  1.0
  O  O4  1  0.210  0.780  0.437  1.0
  O  O5  1  0.224  0.241  0.324  1.0
  O  O6  1  0.157  0.702  0.961  1.0
  O  O7  1  0.321  0.288  0.813  1.0
  O  O8  1  0.776  0.759  0.676  1.0
  O  O9  1  0.790  0.220  0.563  1.0
  O  O10  1  0.843  0.298  0.039  1.0
  O  O11  1  0.679  0.712  0.187  1.0
[/CIF]
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