The compound described by CuWO4 crystallizes in the triclinic P-1 space group. W(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted WO6 octahedra that share corners with eight equivalent Cu(1)O6 octahedra and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. Cu(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with eight equivalent W(1)O6 octahedra and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one W(1) and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent W(1) and one Cu(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one W(1) and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent W(1) and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuWO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.733
_cell_length_b   4.978
_cell_length_c   5.926
_cell_angle_alpha   87.073
_cell_angle_beta   83.255
_cell_angle_gamma   86.620
_symmetry_Int_Tables_number   1
_cell_volume   138.282
_cell_formula_units_Z   2
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  0.501  0.253  0.339  1.0
  Cu  Cu1  1  0.499  0.747  0.661  1.0
  W  W2  1  0.992  0.253  0.830  1.0
  W  W3  1  0.008  0.747  0.170  1.0
  O  O4  1  0.749  0.427  0.647  1.0
  O  O5  1  0.251  0.573  0.353  1.0
  O  O6  1  0.784  0.430  0.119  1.0
  O  O7  1  0.216  0.570  0.881  1.0
  O  O8  1  0.270  0.092  0.616  1.0
  O  O9  1  0.730  0.908  0.384  1.0
  O  O10  1  0.216  0.056  0.090  1.0
  O  O11  1  0.784  0.944  0.910  1.0
[/CIF]
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The compound described by CuWO4 crystallizes in the triclinic P-1 space group. W(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted WO6 octahedra that share corners with eight equivalent Cu(1)O6 octahedra and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. Cu(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with eight equivalent W(1)O6 octahedra and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one W(1) and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent W(1) and one Cu(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one W(1) and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent W(1) and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuWO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.733
_cell_length_b   4.978
_cell_length_c   5.926
_cell_angle_alpha   87.073
_cell_angle_beta   83.255
_cell_angle_gamma   86.620
_symmetry_Int_Tables_number   1
_cell_volume   138.282
_cell_formula_units_Z   2
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  0.501  0.253  0.339  1.0
  Cu  Cu1  1  0.499  0.747  0.661  1.0
  W  W2  1  0.992  0.253  0.830  1.0
  W  W3  1  0.008  0.747  0.170  1.0
  O  O4  1  0.749  0.427  0.647  1.0
  O  O5  1  0.251  0.573  0.353  1.0
  O  O6  1  0.784  0.430  0.119  1.0
  O  O7  1  0.216  0.570  0.881  1.0
  O  O8  1  0.270  0.092  0.616  1.0
  O  O9  1  0.730  0.908  0.384  1.0
  O  O10  1  0.216  0.056  0.090  1.0
  O  O11  1  0.784  0.944  0.910  1.0
[/CIF]
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