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(3), one O(4), one O(5), one O(7), and one O(8) atom. In the second W site, W(2) is bonded in a trigonal bipyramidal geometry to one O(1), one O(4), one O(5), one O(6), and one O(7) atom. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 2-coordinate geometry to one O(2), one O(4), 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 linear geometry to one O(2) and one O(5) 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 bent 150 degrees geometry to one W(2) and one Cu(2) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Cu(1), one Cu(2), and one Cu(3) atom. In the third O site, O(3) is bonded in a water-like geometry to one W(1) and one Cu(4) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one W(1), one W(2), and one Cu(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one W(1), one W(2), and one Cu(3) 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   7.520
_cell_length_b   7.572
_cell_length_c   8.142
_cell_angle_alpha   97.578
_cell_angle_beta   96.790
_cell_angle_gamma   94.530
_symmetry_Int_Tables_number   1
_cell_volume   454.213
_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  0.312  0.208  0.499  1.0
  Cu  Cu1  1  0.609  0.127  0.696  1.0
  Cu  Cu2  1  0.391  0.873  0.304  1.0
  Cu  Cu3  1  0.339  0.883  0.629  1.0
  Cu  Cu4  1  0.688  0.792  0.501  1.0
  Cu  Cu5  1  0.363  0.601  0.901  1.0
  Cu  Cu6  1  0.661  0.117  0.371  1.0
  Cu  Cu7  1  0.637  0.399  0.099  1.0
  W  W8  1  0.968  0.245  0.238  1.0
  W  W9  1  0.032  0.755  0.762  1.0
  W  W10  1  0.258  0.160  0.011  1.0
  W  W11  1  0.742  0.840  0.989  1.0
  O  O12  1  0.636  0.002  0.875  1.0
  O  O13  1  0.560  0.262  0.529  1.0
  O  O14  1  0.856  0.450  0.238  1.0
  O  O15  1  0.364  0.998  0.125  1.0
  O  O16  1  0.440  0.738  0.471  1.0
  O  O17  1  0.227  0.315  0.214  1.0
  O  O18  1  0.802  0.021  0.202  1.0
  O  O19  1  0.425  0.319  0.944  1.0
  O  O20  1  0.999  0.176  0.993  1.0
  O  O21  1  0.144  0.550  0.762  1.0
  O  O22  1  0.937  0.779  0.550  1.0
  O  O23  1  0.773  0.685  0.786  1.0
  O  O24  1  0.198  0.979  0.798  1.0
  O  O25  1  0.575  0.681  0.056  1.0
  O  O26  1  0.001  0.824  0.007  1.0
  O  O27  1  0.063  0.221  0.450  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(3), one O(4), one O(5), one O(7), and one O(8) atom. In the second W site, W(2) is bonded in a trigonal bipyramidal geometry to one O(1), one O(4), one O(5), one O(6), and one O(7) atom. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 2-coordinate geometry to one O(2), one O(4), 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 linear geometry to one O(2) and one O(5) 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 bent 150 degrees geometry to one W(2) and one Cu(2) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Cu(1), one Cu(2), and one Cu(3) atom. In the third O site, O(3) is bonded in a water-like geometry to one W(1) and one Cu(4) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one W(1), one W(2), and one Cu(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one W(1), one W(2), and one Cu(3) 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   7.520
_cell_length_b   7.572
_cell_length_c   8.142
_cell_angle_alpha   97.578
_cell_angle_beta   96.790
_cell_angle_gamma   94.530
_symmetry_Int_Tables_number   1
_cell_volume   454.213
_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  0.312  0.208  0.499  1.0
  Cu  Cu1  1  0.609  0.127  0.696  1.0
  Cu  Cu2  1  0.391  0.873  0.304  1.0
  Cu  Cu3  1  0.339  0.883  0.629  1.0
  Cu  Cu4  1  0.688  0.792  0.501  1.0
  Cu  Cu5  1  0.363  0.601  0.901  1.0
  Cu  Cu6  1  0.661  0.117  0.371  1.0
  Cu  Cu7  1  0.637  0.399  0.099  1.0
  W  W8  1  0.968  0.245  0.238  1.0
  W  W9  1  0.032  0.755  0.762  1.0
  W  W10  1  0.258  0.160  0.011  1.0
  W  W11  1  0.742  0.840  0.989  1.0
  O  O12  1  0.636  0.002  0.875  1.0
  O  O13  1  0.560  0.262  0.529  1.0
  O  O14  1  0.856  0.450  0.238  1.0
  O  O15  1  0.364  0.998  0.125  1.0
  O  O16  1  0.440  0.738  0.471  1.0
  O  O17  1  0.227  0.315  0.214  1.0
  O  O18  1  0.802  0.021  0.202  1.0
  O  O19  1  0.425  0.319  0.944  1.0
  O  O20  1  0.999  0.176  0.993  1.0
  O  O21  1  0.144  0.550  0.762  1.0
  O  O22  1  0.937  0.779  0.550  1.0
  O  O23  1  0.773  0.685  0.786  1.0
  O  O24  1  0.198  0.979  0.798  1.0
  O  O25  1  0.575  0.681  0.056  1.0
  O  O26  1  0.001  0.824  0.007  1.0
  O  O27  1  0.063  0.221  0.450  1.0
[/CIF]
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