The material 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 5-coordinate geometry to one O(1), one O(3), one O(6), and two equivalent O(5) atoms. In the second W site, W(2) is bonded in a 6-coordinate geometry to one O(4), one O(5), one O(6), one O(7), and two equivalent O(1) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a bent 120 degrees geometry to one O(2) and one O(8) atom. In the second Cu site, Cu(2) is bonded in a distorted single-bond geometry to one O(1) atom. In the third Cu site, Cu(3) is bonded in a linear geometry to one O(2) and one O(4) atom. In the fourth Cu site, Cu(4) is bonded in a 4-coordinate geometry to one O(3), one O(6), and two equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one W(1), two equivalent W(2), and one Cu(2) atom to form distorted edge-sharing OCuW3 tetrahedra. In the second O site, O(2) is bonded in a distorted L-shaped geometry to one Cu(1), one Cu(3), and one O(8) atom. In the third O site, O(3) is bonded in an L-shaped geometry to one W(1) and one Cu(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one W(2) and one Cu(3) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one W(2) and two equivalent W(1) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one W(1), one W(2), and one Cu(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one W(2) and two equivalent Cu(4) atoms. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one O(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu2WO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.144
_cell_length_b   8.507
_cell_length_c   8.475
_cell_angle_alpha   117.185
_cell_angle_beta   116.712
_cell_angle_gamma   82.770
_symmetry_Int_Tables_number   1
_cell_volume   407.223
_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  0.226  0.079  0.538  1.0
  Cu  Cu1  1  0.598  0.113  0.690  1.0
  Cu  Cu2  1  0.402  0.887  0.310  1.0
  Cu  Cu3  1  0.457  0.799  0.590  1.0
  Cu  Cu4  1  0.774  0.921  0.462  1.0
  Cu  Cu5  1  0.242  0.534  0.999  1.0
  Cu  Cu6  1  0.543  0.201  0.410  1.0
  Cu  Cu7  1  0.758  0.466  0.001  1.0
  W  W8  1  0.605  0.204  0.039  1.0
  W  W9  1  0.395  0.796  0.961  1.0
  W  W10  1  0.144  0.175  0.035  1.0
  W  W11  1  0.856  0.825  0.965  1.0
  O  O12  1  0.853  0.073  0.957  1.0
  O  O13  1  0.834  0.171  0.537  1.0
  O  O14  1  0.789  0.396  0.204  1.0
  O  O15  1  0.147  0.927  0.043  1.0
  O  O16  1  0.166  0.829  0.463  1.0
  O  O17  1  0.280  0.287  0.303  1.0
  O  O18  1  0.681  0.982  0.093  1.0
  O  O19  1  0.368  0.334  0.045  1.0
  O  O20  1  0.981  0.321  0.939  1.0
  O  O21  1  0.211  0.604  0.796  1.0
  O  O22  1  0.016  0.807  0.521  1.0
  O  O23  1  0.720  0.713  0.697  1.0
  O  O24  1  0.319  0.018  0.907  1.0
  O  O25  1  0.632  0.666  0.955  1.0
  O  O26  1  0.019  0.679  0.061  1.0
  O  O27  1  0.984  0.193  0.479  1.0
[/CIF]
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The material 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 5-coordinate geometry to one O(1), one O(3), one O(6), and two equivalent O(5) atoms. In the second W site, W(2) is bonded in a 6-coordinate geometry to one O(4), one O(5), one O(6), one O(7), and two equivalent O(1) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a bent 120 degrees geometry to one O(2) and one O(8) atom. In the second Cu site, Cu(2) is bonded in a distorted single-bond geometry to one O(1) atom. In the third Cu site, Cu(3) is bonded in a linear geometry to one O(2) and one O(4) atom. In the fourth Cu site, Cu(4) is bonded in a 4-coordinate geometry to one O(3), one O(6), and two equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one W(1), two equivalent W(2), and one Cu(2) atom to form distorted edge-sharing OCuW3 tetrahedra. In the second O site, O(2) is bonded in a distorted L-shaped geometry to one Cu(1), one Cu(3), and one O(8) atom. In the third O site, O(3) is bonded in an L-shaped geometry to one W(1) and one Cu(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one W(2) and one Cu(3) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one W(2) and two equivalent W(1) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one W(1), one W(2), and one Cu(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one W(2) and two equivalent Cu(4) atoms. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one O(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu2WO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.144
_cell_length_b   8.507
_cell_length_c   8.475
_cell_angle_alpha   117.185
_cell_angle_beta   116.712
_cell_angle_gamma   82.770
_symmetry_Int_Tables_number   1
_cell_volume   407.223
_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  0.226  0.079  0.538  1.0
  Cu  Cu1  1  0.598  0.113  0.690  1.0
  Cu  Cu2  1  0.402  0.887  0.310  1.0
  Cu  Cu3  1  0.457  0.799  0.590  1.0
  Cu  Cu4  1  0.774  0.921  0.462  1.0
  Cu  Cu5  1  0.242  0.534  0.999  1.0
  Cu  Cu6  1  0.543  0.201  0.410  1.0
  Cu  Cu7  1  0.758  0.466  0.001  1.0
  W  W8  1  0.605  0.204  0.039  1.0
  W  W9  1  0.395  0.796  0.961  1.0
  W  W10  1  0.144  0.175  0.035  1.0
  W  W11  1  0.856  0.825  0.965  1.0
  O  O12  1  0.853  0.073  0.957  1.0
  O  O13  1  0.834  0.171  0.537  1.0
  O  O14  1  0.789  0.396  0.204  1.0
  O  O15  1  0.147  0.927  0.043  1.0
  O  O16  1  0.166  0.829  0.463  1.0
  O  O17  1  0.280  0.287  0.303  1.0
  O  O18  1  0.681  0.982  0.093  1.0
  O  O19  1  0.368  0.334  0.045  1.0
  O  O20  1  0.981  0.321  0.939  1.0
  O  O21  1  0.211  0.604  0.796  1.0
  O  O22  1  0.016  0.807  0.521  1.0
  O  O23  1  0.720  0.713  0.697  1.0
  O  O24  1  0.319  0.018  0.907  1.0
  O  O25  1  0.632  0.666  0.955  1.0
  O  O26  1  0.019  0.679  0.061  1.0
  O  O27  1  0.984  0.193  0.479  1.0
[/CIF]
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