The material described by NiAl(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 34-54°. Ni(1) is bonded in a distorted 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 34-54°. 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 Ni(1) atom. In the fourth O site, O(4) is bonded to two equivalent W(1), one Ni(1), and one Al(1) atom to form a mixture of distorted corner and edge-sharing OAlNiW2 trigonal pyramids. is represented by the CIF file [CIF]
data_AlNi(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.038
_cell_length_b   5.521
_cell_length_c   5.668
_cell_angle_alpha   108.551
_cell_angle_beta   91.957
_cell_angle_gamma   111.822
_symmetry_Int_Tables_number   1
_cell_volume   136.659
_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
  Ni  Ni1  1  0.500  0.000  0.000  1.0
  W  W2  1  0.748  0.501  0.814  1.0
  W  W3  1  0.252  0.499  0.186  1.0
  O  O4  1  0.210  0.777  0.439  1.0
  O  O5  1  0.230  0.236  0.326  1.0
  O  O6  1  0.150  0.696  0.954  1.0
  O  O7  1  0.326  0.279  0.820  1.0
  O  O8  1  0.770  0.764  0.674  1.0
  O  O9  1  0.790  0.223  0.561  1.0
  O  O10  1  0.850  0.304  0.046  1.0
  O  O11  1  0.674  0.721  0.180  1.0
[/CIF]
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The material described by NiAl(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 34-54°. Ni(1) is bonded in a distorted 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 34-54°. 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 Ni(1) atom. In the fourth O site, O(4) is bonded to two equivalent W(1), one Ni(1), and one Al(1) atom to form a mixture of distorted corner and edge-sharing OAlNiW2 trigonal pyramids. is represented by the CIF file [CIF]
data_AlNi(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.038
_cell_length_b   5.521
_cell_length_c   5.668
_cell_angle_alpha   108.551
_cell_angle_beta   91.957
_cell_angle_gamma   111.822
_symmetry_Int_Tables_number   1
_cell_volume   136.659
_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
  Ni  Ni1  1  0.500  0.000  0.000  1.0
  W  W2  1  0.748  0.501  0.814  1.0
  W  W3  1  0.252  0.499  0.186  1.0
  O  O4  1  0.210  0.777  0.439  1.0
  O  O5  1  0.230  0.236  0.326  1.0
  O  O6  1  0.150  0.696  0.954  1.0
  O  O7  1  0.326  0.279  0.820  1.0
  O  O8  1  0.770  0.764  0.674  1.0
  O  O9  1  0.790  0.223  0.561  1.0
  O  O10  1  0.850  0.304  0.046  1.0
  O  O11  1  0.674  0.721  0.180  1.0
[/CIF]
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