The compound described by CuWO3F2 crystallizes in the monoclinic P2_1/m space group. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form corner-sharing WO4F2 octahedra. The corner-sharing octahedral tilt angles are 23°. Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent F(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear 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 two equivalent W(1) atoms. F(1) is bonded in a distorted bent 120 degrees geometry to one W(1) and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuWO3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.812
_cell_length_b   3.785
_cell_length_c   5.285
_cell_angle_alpha   74.269
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   188.901
_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  0.500  0.000  0.500  1.0
  Cu  Cu1  1  0.000  0.000  0.500  1.0
  W  W2  1  0.250  0.792  0.027  1.0
  W  W3  1  0.750  0.208  0.973  1.0
  O  O4  1  0.609  0.120  0.198  1.0
  O  O5  1  0.391  0.880  0.802  1.0
  O  O6  1  0.109  0.880  0.802  1.0
  O  O7  1  0.250  0.265  0.102  1.0
  O  O8  1  0.750  0.735  0.898  1.0
  O  O9  1  0.891  0.120  0.198  1.0
  F  F10  1  0.888  0.333  0.652  1.0
  F  F11  1  0.112  0.667  0.348  1.0
  F  F12  1  0.388  0.667  0.348  1.0
  F  F13  1  0.612  0.333  0.652  1.0
[/CIF]
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The compound described by CuWO3F2 crystallizes in the monoclinic P2_1/m space group. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form corner-sharing WO4F2 octahedra. The corner-sharing octahedral tilt angles are 23°. Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent F(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear 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 two equivalent W(1) atoms. F(1) is bonded in a distorted bent 120 degrees geometry to one W(1) and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuWO3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.812
_cell_length_b   3.785
_cell_length_c   5.285
_cell_angle_alpha   74.269
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   188.901
_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  0.500  0.000  0.500  1.0
  Cu  Cu1  1  0.000  0.000  0.500  1.0
  W  W2  1  0.250  0.792  0.027  1.0
  W  W3  1  0.750  0.208  0.973  1.0
  O  O4  1  0.609  0.120  0.198  1.0
  O  O5  1  0.391  0.880  0.802  1.0
  O  O6  1  0.109  0.880  0.802  1.0
  O  O7  1  0.250  0.265  0.102  1.0
  O  O8  1  0.750  0.735  0.898  1.0
  O  O9  1  0.891  0.120  0.198  1.0
  F  F10  1  0.888  0.333  0.652  1.0
  F  F11  1  0.112  0.667  0.348  1.0
  F  F12  1  0.388  0.667  0.348  1.0
  F  F13  1  0.612  0.333  0.652  1.0
[/CIF]
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