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(1), one O(3), one O(5), one O(6), and two equivalent O(8) atoms to form distorted edge-sharing WO6 octahedra. In the second W site, W(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted T-shaped geometry to one O(1), one O(2), and one O(7) atom. In the second Cu site, Cu(2) is bonded in a distorted T-shaped geometry to one O(5) and two equivalent O(4) atoms. In the third Cu site, Cu(3) is bonded in a linear geometry to two equivalent O(6) atoms. In the fourth Cu site, Cu(4) is bonded in a linear geometry to one O(3) and one O(7) atom. In the fifth Cu site, Cu(5) is bonded in a linear geometry to two equivalent O(8) 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(1) and one Cu(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one W(2) and one Cu(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one W(1), one W(2), and one Cu(4) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one W(2) and two equivalent Cu(2) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one W(1), one W(2), and one Cu(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to one W(1) and one Cu(3) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one W(2), one Cu(1), and one Cu(4) atom. In the eighth O site, O(8) is bonded to one W(2), two equivalent W(1), and one Cu(5) atom to form a mixture of distorted corner and edge-sharing OCuW3 tetrahedra. is represented by the CIF card [CIF]
data_Cu2WO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.934
_cell_length_b   8.114
_cell_length_c   8.297
_cell_angle_alpha   109.780
_cell_angle_beta   95.241
_cell_angle_gamma   92.214
_symmetry_Int_Tables_number   1
_cell_volume   373.280
_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  0.224  0.709  0.903  1.0
  Cu  Cu1  1  0.776  0.291  0.097  1.0
  Cu  Cu2  1  0.127  0.359  0.552  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  Cu  Cu4  1  0.856  0.762  0.163  1.0
  Cu  Cu5  1  0.873  0.641  0.448  1.0
  Cu  Cu6  1  0.144  0.238  0.837  1.0
  Cu  Cu7  1  0.000  0.000  0.500  1.0
  W  W8  1  0.513  0.927  0.678  1.0
  W  W9  1  0.651  0.355  0.725  1.0
  W  W10  1  0.487  0.073  0.322  1.0
  W  W11  1  0.349  0.645  0.275  1.0
  O  O12  1  0.289  0.823  0.751  1.0
  O  O13  1  0.493  0.461  0.160  1.0
  O  O14  1  0.507  0.539  0.840  1.0
  O  O15  1  0.564  0.829  0.213  1.0
  O  O16  1  0.436  0.171  0.787  1.0
  O  O17  1  0.711  0.177  0.249  1.0
  O  O18  1  0.859  0.451  0.624  1.0
  O  O19  1  0.417  0.286  0.509  1.0
  O  O20  1  0.240  0.067  0.173  1.0
  O  O21  1  0.760  0.933  0.827  1.0
  O  O22  1  0.132  0.669  0.100  1.0
  O  O23  1  0.141  0.549  0.376  1.0
  O  O24  1  0.706  0.076  0.550  1.0
  O  O25  1  0.868  0.331  0.900  1.0
  O  O26  1  0.583  0.714  0.491  1.0
  O  O27  1  0.294  0.924  0.450  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(1), one O(3), one O(5), one O(6), and two equivalent O(8) atoms to form distorted edge-sharing WO6 octahedra. In the second W site, W(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted T-shaped geometry to one O(1), one O(2), and one O(7) atom. In the second Cu site, Cu(2) is bonded in a distorted T-shaped geometry to one O(5) and two equivalent O(4) atoms. In the third Cu site, Cu(3) is bonded in a linear geometry to two equivalent O(6) atoms. In the fourth Cu site, Cu(4) is bonded in a linear geometry to one O(3) and one O(7) atom. In the fifth Cu site, Cu(5) is bonded in a linear geometry to two equivalent O(8) 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(1) and one Cu(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one W(2) and one Cu(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one W(1), one W(2), and one Cu(4) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one W(2) and two equivalent Cu(2) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one W(1), one W(2), and one Cu(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to one W(1) and one Cu(3) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one W(2), one Cu(1), and one Cu(4) atom. In the eighth O site, O(8) is bonded to one W(2), two equivalent W(1), and one Cu(5) atom to form a mixture of distorted corner and edge-sharing OCuW3 tetrahedra. is represented by the CIF card [CIF]
data_Cu2WO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.934
_cell_length_b   8.114
_cell_length_c   8.297
_cell_angle_alpha   109.780
_cell_angle_beta   95.241
_cell_angle_gamma   92.214
_symmetry_Int_Tables_number   1
_cell_volume   373.280
_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  0.224  0.709  0.903  1.0
  Cu  Cu1  1  0.776  0.291  0.097  1.0
  Cu  Cu2  1  0.127  0.359  0.552  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  Cu  Cu4  1  0.856  0.762  0.163  1.0
  Cu  Cu5  1  0.873  0.641  0.448  1.0
  Cu  Cu6  1  0.144  0.238  0.837  1.0
  Cu  Cu7  1  0.000  0.000  0.500  1.0
  W  W8  1  0.513  0.927  0.678  1.0
  W  W9  1  0.651  0.355  0.725  1.0
  W  W10  1  0.487  0.073  0.322  1.0
  W  W11  1  0.349  0.645  0.275  1.0
  O  O12  1  0.289  0.823  0.751  1.0
  O  O13  1  0.493  0.461  0.160  1.0
  O  O14  1  0.507  0.539  0.840  1.0
  O  O15  1  0.564  0.829  0.213  1.0
  O  O16  1  0.436  0.171  0.787  1.0
  O  O17  1  0.711  0.177  0.249  1.0
  O  O18  1  0.859  0.451  0.624  1.0
  O  O19  1  0.417  0.286  0.509  1.0
  O  O20  1  0.240  0.067  0.173  1.0
  O  O21  1  0.760  0.933  0.827  1.0
  O  O22  1  0.132  0.669  0.100  1.0
  O  O23  1  0.141  0.549  0.376  1.0
  O  O24  1  0.706  0.076  0.550  1.0
  O  O25  1  0.868  0.331  0.900  1.0
  O  O26  1  0.583  0.714  0.491  1.0
  O  O27  1  0.294  0.924  0.450  1.0
[/CIF]
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