The material structure described by Cu2WO4 crystallizes in the triclinic P-1 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(2), one O(4), two equivalent O(1), and two equivalent O(8) atoms. In the second W site, W(2) is bonded to one O(3), one O(4), one O(6), one O(7), and two equivalent O(5) atoms to form edge-sharing WO6 octahedra. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted linear geometry to one O(4), one O(7), and one O(8) atom. In the second Cu site, Cu(2) is bonded in a linear geometry to one O(6) and one O(7) atom. In the third Cu site, Cu(3) is bonded in a 3-coordinate geometry to one O(1), one O(4), and one O(5) atom. In the fourth Cu site, Cu(4) is bonded in a distorted T-shaped geometry to one O(2), one O(3), and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent W(1) and one Cu(3) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one W(1) and one Cu(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one W(2) and one Cu(4) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one W(1), one W(2), one Cu(1), and one Cu(3) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to two equivalent W(2) and one Cu(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one W(2), one Cu(2), and one Cu(4) atom. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one W(2), one Cu(1), and one Cu(2) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to two equivalent W(1) and one Cu(1) atom. is represented by the CIF file [CIF]
data_Cu2WO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.770
_cell_length_b   8.459
_cell_length_c   9.667
_cell_angle_alpha   119.708
_cell_angle_beta   80.978
_cell_angle_gamma   98.537
_symmetry_Int_Tables_number   1
_cell_volume   403.401
_cell_formula_units_Z   4
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
  Cu  Cu0  1  0.021  0.111  0.375  1.0
  Cu  Cu1  1  0.649  0.179  0.845  1.0
  Cu  Cu2  1  0.351  0.821  0.155  1.0
  Cu  Cu3  1  0.493  0.871  0.849  1.0
  Cu  Cu4  1  0.979  0.889  0.625  1.0
  Cu  Cu5  1  0.330  0.453  0.842  1.0
  Cu  Cu6  1  0.507  0.129  0.151  1.0
  Cu  Cu7  1  0.670  0.547  0.158  1.0
  W  W8  1  0.280  0.507  0.414  1.0
  W  W9  1  0.720  0.493  0.586  1.0
  W  W10  1  0.076  0.203  0.006  1.0
  W  W11  1  0.924  0.797  0.994  1.0
  O  O12  1  0.451  0.648  0.601  1.0
  O  O13  1  0.603  0.368  0.690  1.0
  O  O14  1  0.919  0.408  0.111  1.0
  O  O15  1  0.549  0.352  0.399  1.0
  O  O16  1  0.397  0.632  0.310  1.0
  O  O17  1  0.231  0.273  0.211  1.0
  O  O18  1  0.817  0.057  0.077  1.0
  O  O19  1  0.368  0.286  0.931  1.0
  O  O20  1  0.959  0.119  0.799  1.0
  O  O21  1  0.081  0.592  0.889  1.0
  O  O22  1  0.990  0.637  0.493  1.0
  O  O23  1  0.769  0.727  0.789  1.0
  O  O24  1  0.183  0.943  0.923  1.0
  O  O25  1  0.632  0.714  0.069  1.0
  O  O26  1  0.041  0.881  0.201  1.0
  O  O27  1  0.010  0.363  0.507  1.0
[/CIF]
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The material structure described by Cu2WO4 crystallizes in the triclinic P-1 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(2), one O(4), two equivalent O(1), and two equivalent O(8) atoms. In the second W site, W(2) is bonded to one O(3), one O(4), one O(6), one O(7), and two equivalent O(5) atoms to form edge-sharing WO6 octahedra. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted linear geometry to one O(4), one O(7), and one O(8) atom. In the second Cu site, Cu(2) is bonded in a linear geometry to one O(6) and one O(7) atom. In the third Cu site, Cu(3) is bonded in a 3-coordinate geometry to one O(1), one O(4), and one O(5) atom. In the fourth Cu site, Cu(4) is bonded in a distorted T-shaped geometry to one O(2), one O(3), and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent W(1) and one Cu(3) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one W(1) and one Cu(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one W(2) and one Cu(4) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one W(1), one W(2), one Cu(1), and one Cu(3) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to two equivalent W(2) and one Cu(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one W(2), one Cu(2), and one Cu(4) atom. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one W(2), one Cu(1), and one Cu(2) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to two equivalent W(1) and one Cu(1) atom. is represented by the CIF file [CIF]
data_Cu2WO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.770
_cell_length_b   8.459
_cell_length_c   9.667
_cell_angle_alpha   119.708
_cell_angle_beta   80.978
_cell_angle_gamma   98.537
_symmetry_Int_Tables_number   1
_cell_volume   403.401
_cell_formula_units_Z   4
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
  Cu  Cu0  1  0.021  0.111  0.375  1.0
  Cu  Cu1  1  0.649  0.179  0.845  1.0
  Cu  Cu2  1  0.351  0.821  0.155  1.0
  Cu  Cu3  1  0.493  0.871  0.849  1.0
  Cu  Cu4  1  0.979  0.889  0.625  1.0
  Cu  Cu5  1  0.330  0.453  0.842  1.0
  Cu  Cu6  1  0.507  0.129  0.151  1.0
  Cu  Cu7  1  0.670  0.547  0.158  1.0
  W  W8  1  0.280  0.507  0.414  1.0
  W  W9  1  0.720  0.493  0.586  1.0
  W  W10  1  0.076  0.203  0.006  1.0
  W  W11  1  0.924  0.797  0.994  1.0
  O  O12  1  0.451  0.648  0.601  1.0
  O  O13  1  0.603  0.368  0.690  1.0
  O  O14  1  0.919  0.408  0.111  1.0
  O  O15  1  0.549  0.352  0.399  1.0
  O  O16  1  0.397  0.632  0.310  1.0
  O  O17  1  0.231  0.273  0.211  1.0
  O  O18  1  0.817  0.057  0.077  1.0
  O  O19  1  0.368  0.286  0.931  1.0
  O  O20  1  0.959  0.119  0.799  1.0
  O  O21  1  0.081  0.592  0.889  1.0
  O  O22  1  0.990  0.637  0.493  1.0
  O  O23  1  0.769  0.727  0.789  1.0
  O  O24  1  0.183  0.943  0.923  1.0
  O  O25  1  0.632  0.714  0.069  1.0
  O  O26  1  0.041  0.881  0.201  1.0
  O  O27  1  0.010  0.363  0.507  1.0
[/CIF]
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