The crystal structure described by CsWCo(OF)3 crystallizes in the monoclinic C2/c space group. Cs(1) is bonded in a 3-coordinate geometry to one F(2) and two equivalent F(1) atoms. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form WO4F2 octahedra that share corners with two equivalent W(1)O4F2 octahedra and corners with four equivalent Co(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 32-48°. Co(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form CoO2F4 octahedra that share corners with two equivalent Co(1)O2F4 octahedra and corners with four equivalent W(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 32-48°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one W(1) and one Co(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Cs(1), one W(1), and one Co(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Cs(1) and two equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsCoW(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.338
_cell_length_b   7.651
_cell_length_c   7.583
_cell_angle_alpha   57.555
_cell_angle_beta   61.620
_cell_angle_gamma   59.562
_symmetry_Int_Tables_number   1
_cell_volume   297.420
_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
  Cs  Cs0  1  0.371  0.371  0.379  1.0
  Cs  Cs1  1  0.629  0.629  0.621  1.0
  Co  Co2  1  1.000  0.000  0.000  1.0
  Co  Co3  1  0.000  1.000  0.500  1.0
  W  W4  1  0.000  0.500  1.000  1.0
  W  W5  1  0.500  1.000  0.000  1.0
  O  O6  1  0.694  0.057  0.036  1.0
  O  O7  1  0.057  0.695  0.713  1.0
  O  O8  1  0.300  0.300  0.950  1.0
  O  O9  1  0.700  0.700  0.050  1.0
  O  O10  1  0.943  0.305  0.287  1.0
  O  O11  1  0.306  0.943  0.964  1.0
  F  F12  1  0.087  0.650  0.081  1.0
  F  F13  1  0.077  0.077  0.673  1.0
  F  F14  1  0.350  0.912  0.318  1.0
  F  F15  1  0.650  0.088  0.682  1.0
  F  F16  1  0.923  0.923  0.327  1.0
  F  F17  1  0.913  0.350  0.919  1.0
[/CIF]
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The crystal structure described by CsWCo(OF)3 crystallizes in the monoclinic C2/c space group. Cs(1) is bonded in a 3-coordinate geometry to one F(2) and two equivalent F(1) atoms. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form WO4F2 octahedra that share corners with two equivalent W(1)O4F2 octahedra and corners with four equivalent Co(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 32-48°. Co(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form CoO2F4 octahedra that share corners with two equivalent Co(1)O2F4 octahedra and corners with four equivalent W(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 32-48°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one W(1) and one Co(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Cs(1), one W(1), and one Co(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Cs(1) and two equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsCoW(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.338
_cell_length_b   7.651
_cell_length_c   7.583
_cell_angle_alpha   57.555
_cell_angle_beta   61.620
_cell_angle_gamma   59.562
_symmetry_Int_Tables_number   1
_cell_volume   297.420
_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
  Cs  Cs0  1  0.371  0.371  0.379  1.0
  Cs  Cs1  1  0.629  0.629  0.621  1.0
  Co  Co2  1  1.000  0.000  0.000  1.0
  Co  Co3  1  0.000  1.000  0.500  1.0
  W  W4  1  0.000  0.500  1.000  1.0
  W  W5  1  0.500  1.000  0.000  1.0
  O  O6  1  0.694  0.057  0.036  1.0
  O  O7  1  0.057  0.695  0.713  1.0
  O  O8  1  0.300  0.300  0.950  1.0
  O  O9  1  0.700  0.700  0.050  1.0
  O  O10  1  0.943  0.305  0.287  1.0
  O  O11  1  0.306  0.943  0.964  1.0
  F  F12  1  0.087  0.650  0.081  1.0
  F  F13  1  0.077  0.077  0.673  1.0
  F  F14  1  0.350  0.912  0.318  1.0
  F  F15  1  0.650  0.088  0.682  1.0
  F  F16  1  0.923  0.923  0.327  1.0
  F  F17  1  0.913  0.350  0.919  1.0
[/CIF]
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