The compound described by CrAl(WO4)2 crystallizes in the triclinic P1 space group. 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 corners with three equivalent Al(1)O4 tetrahedra and edges with two equivalent W(2)O6 octahedra. 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 corners with two equivalent Al(1)O4 tetrahedra and edges with two equivalent W(1)O6 octahedra. Cr(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. Al(1) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form AlO4 tetrahedra that share corners with two equivalent W(2)O6 octahedra and corners with three equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-66°. 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 non-coplanar geometry to one W(1), one Cr(1), and one Al(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one W(1), one W(2), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one W(1), one W(2), and one Cr(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one W(2) and one Cr(1) atom. In the sixth O site, O(6) is bonded in a linear geometry to one W(2) and one Al(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one W(1), one W(2), and one Cr(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one W(1), one W(2), one Cr(1), and one Al(1) atom. is represented by the CIF card [CIF]
data_AlCr(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.024
_cell_length_b   5.796
_cell_length_c   6.655
_cell_angle_alpha   65.455
_cell_angle_beta   80.581
_cell_angle_gamma   71.441
_symmetry_Int_Tables_number   1
_cell_volume   167.009
_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  0.457  0.479  0.420  1.0
  Cr  Cr1  1  0.972  0.133  0.773  1.0
  W  W2  1  0.705  0.785  0.607  1.0
  W  W3  1  0.245  0.488  0.924  1.0
  O  O4  1  0.635  0.727  0.367  1.0
  O  O5  1  0.716  0.158  0.521  1.0
  O  O6  1  0.631  0.414  0.804  1.0
  O  O7  1  0.870  0.714  0.897  1.0
  O  O8  1  0.175  0.175  0.003  1.0
  O  O9  1  0.323  0.481  0.188  1.0
  O  O10  1  0.323  0.868  0.730  1.0
  O  O11  1  0.148  0.560  0.590  1.0
[/CIF]
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The compound described by CrAl(WO4)2 crystallizes in the triclinic P1 space group. 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 corners with three equivalent Al(1)O4 tetrahedra and edges with two equivalent W(2)O6 octahedra. 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 corners with two equivalent Al(1)O4 tetrahedra and edges with two equivalent W(1)O6 octahedra. Cr(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. Al(1) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form AlO4 tetrahedra that share corners with two equivalent W(2)O6 octahedra and corners with three equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-66°. 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 non-coplanar geometry to one W(1), one Cr(1), and one Al(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one W(1), one W(2), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one W(1), one W(2), and one Cr(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one W(2) and one Cr(1) atom. In the sixth O site, O(6) is bonded in a linear geometry to one W(2) and one Al(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one W(1), one W(2), and one Cr(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one W(1), one W(2), one Cr(1), and one Al(1) atom. is represented by the CIF card [CIF]
data_AlCr(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.024
_cell_length_b   5.796
_cell_length_c   6.655
_cell_angle_alpha   65.455
_cell_angle_beta   80.581
_cell_angle_gamma   71.441
_symmetry_Int_Tables_number   1
_cell_volume   167.009
_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  0.457  0.479  0.420  1.0
  Cr  Cr1  1  0.972  0.133  0.773  1.0
  W  W2  1  0.705  0.785  0.607  1.0
  W  W3  1  0.245  0.488  0.924  1.0
  O  O4  1  0.635  0.727  0.367  1.0
  O  O5  1  0.716  0.158  0.521  1.0
  O  O6  1  0.631  0.414  0.804  1.0
  O  O7  1  0.870  0.714  0.897  1.0
  O  O8  1  0.175  0.175  0.003  1.0
  O  O9  1  0.323  0.481  0.188  1.0
  O  O10  1  0.323  0.868  0.730  1.0
  O  O11  1  0.148  0.560  0.590  1.0
[/CIF]
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