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 to one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form a mixture of distorted corner and edge-sharing WO5 trigonal bipyramids. In the second W site, W(2) is bonded to one O(1), one O(4), one O(5), one O(6), and one O(7) atom to form a mixture of distorted corner and edge-sharing WO5 trigonal bipyramids. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted L-shaped geometry to one O(5) and one O(8) atom. In the second Cu site, Cu(2) is bonded in a linear geometry to one O(1) and one O(2) atom. In the third Cu site, Cu(3) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(4) atom. In the fourth Cu site, Cu(4) is bonded in a distorted T-shaped geometry to one O(3) and two equivalent O(6) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one W(2), one Cu(2), and one Cu(3) atom. In the second O site, O(2) is bonded in a water-like geometry to one Cu(2) and one Cu(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one W(1) and one Cu(4) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one W(1), one W(2), and one Cu(3) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one W(1), one W(2), and one Cu(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one W(2) and two equivalent Cu(4) atoms. In the seventh O site, O(7) is bonded in a water-like geometry to one W(1) and one W(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one 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   7.357
_cell_length_b   7.548
_cell_length_c   7.999
_cell_angle_alpha   97.890
_cell_angle_beta   102.872
_cell_angle_gamma   94.617
_symmetry_Int_Tables_number   1
_cell_volume   426.112
_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  0.278  0.047  0.542  1.0
  Cu  Cu1  1  0.640  0.149  0.705  1.0
  Cu  Cu2  1  0.360  0.851  0.295  1.0
  Cu  Cu3  1  0.487  0.823  0.639  1.0
  Cu  Cu4  1  0.722  0.953  0.458  1.0
  Cu  Cu5  1  0.380  0.600  0.873  1.0
  Cu  Cu6  1  0.513  0.177  0.361  1.0
  Cu  Cu7  1  0.620  0.400  0.127  1.0
  W  W8  1  0.992  0.244  0.268  1.0
  W  W9  1  0.008  0.756  0.732  1.0
  W  W10  1  0.241  0.157  0.008  1.0
  W  W11  1  0.759  0.843  0.992  1.0
  O  O12  1  0.613  0.988  0.862  1.0
  O  O13  1  0.683  0.288  0.552  1.0
  O  O14  1  0.862  0.436  0.273  1.0
  O  O15  1  0.387  0.012  0.138  1.0
  O  O16  1  0.317  0.712  0.448  1.0
  O  O17  1  0.238  0.313  0.235  1.0
  O  O18  1  0.825  0.012  0.209  1.0
  O  O19  1  0.393  0.328  0.946  1.0
  O  O20  1  0.981  0.177  0.999  1.0
  O  O21  1  0.138  0.564  0.727  1.0
  O  O22  1  0.911  0.795  0.514  1.0
  O  O23  1  0.762  0.687  0.765  1.0
  O  O24  1  0.175  0.988  0.791  1.0
  O  O25  1  0.607  0.672  0.054  1.0
  O  O26  1  0.019  0.823  0.001  1.0
  O  O27  1  0.089  0.205  0.486  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 to one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form a mixture of distorted corner and edge-sharing WO5 trigonal bipyramids. In the second W site, W(2) is bonded to one O(1), one O(4), one O(5), one O(6), and one O(7) atom to form a mixture of distorted corner and edge-sharing WO5 trigonal bipyramids. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted L-shaped geometry to one O(5) and one O(8) atom. In the second Cu site, Cu(2) is bonded in a linear geometry to one O(1) and one O(2) atom. In the third Cu site, Cu(3) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(4) atom. In the fourth Cu site, Cu(4) is bonded in a distorted T-shaped geometry to one O(3) and two equivalent O(6) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one W(2), one Cu(2), and one Cu(3) atom. In the second O site, O(2) is bonded in a water-like geometry to one Cu(2) and one Cu(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one W(1) and one Cu(4) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one W(1), one W(2), and one Cu(3) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one W(1), one W(2), and one Cu(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one W(2) and two equivalent Cu(4) atoms. In the seventh O site, O(7) is bonded in a water-like geometry to one W(1) and one W(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one 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   7.357
_cell_length_b   7.548
_cell_length_c   7.999
_cell_angle_alpha   97.890
_cell_angle_beta   102.872
_cell_angle_gamma   94.617
_symmetry_Int_Tables_number   1
_cell_volume   426.112
_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  0.278  0.047  0.542  1.0
  Cu  Cu1  1  0.640  0.149  0.705  1.0
  Cu  Cu2  1  0.360  0.851  0.295  1.0
  Cu  Cu3  1  0.487  0.823  0.639  1.0
  Cu  Cu4  1  0.722  0.953  0.458  1.0
  Cu  Cu5  1  0.380  0.600  0.873  1.0
  Cu  Cu6  1  0.513  0.177  0.361  1.0
  Cu  Cu7  1  0.620  0.400  0.127  1.0
  W  W8  1  0.992  0.244  0.268  1.0
  W  W9  1  0.008  0.756  0.732  1.0
  W  W10  1  0.241  0.157  0.008  1.0
  W  W11  1  0.759  0.843  0.992  1.0
  O  O12  1  0.613  0.988  0.862  1.0
  O  O13  1  0.683  0.288  0.552  1.0
  O  O14  1  0.862  0.436  0.273  1.0
  O  O15  1  0.387  0.012  0.138  1.0
  O  O16  1  0.317  0.712  0.448  1.0
  O  O17  1  0.238  0.313  0.235  1.0
  O  O18  1  0.825  0.012  0.209  1.0
  O  O19  1  0.393  0.328  0.946  1.0
  O  O20  1  0.981  0.177  0.999  1.0
  O  O21  1  0.138  0.564  0.727  1.0
  O  O22  1  0.911  0.795  0.514  1.0
  O  O23  1  0.762  0.687  0.765  1.0
  O  O24  1  0.175  0.988  0.791  1.0
  O  O25  1  0.607  0.672  0.054  1.0
  O  O26  1  0.019  0.823  0.001  1.0
  O  O27  1  0.089  0.205  0.486  1.0
[/CIF]
.