The structure described by Co3(OF2)2 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), one F(1), and three equivalent F(2) atoms to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. O(1) is bonded in a distorted trigonal planar geometry to one Co(2) and two equivalent Co(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 Co(1) and two equivalent Co(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to three equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_Co3(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.700
_cell_length_b   5.657
_cell_length_c   7.807
_cell_angle_alpha   87.179
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   207.332
_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
  Co  Co0  1  0.458  0.847  0.676  1.0
  Co  Co1  1  0.542  0.153  0.324  1.0
  Co  Co2  1  0.500  0.500  0.000  1.0
  Co  Co3  1  0.000  0.000  0.000  1.0
  Co  Co4  1  0.958  0.653  0.324  1.0
  Co  Co5  1  0.042  0.347  0.676  1.0
  O  O6  1  0.799  0.964  0.233  1.0
  O  O7  1  0.701  0.464  0.233  1.0
  O  O8  1  0.299  0.536  0.767  1.0
  O  O9  1  0.201  0.036  0.767  1.0
  F  F10  1  0.804  0.300  0.893  1.0
  F  F11  1  0.797  0.636  0.568  1.0
  F  F12  1  0.696  0.800  0.893  1.0
  F  F13  1  0.703  0.136  0.568  1.0
  F  F14  1  0.304  0.200  0.107  1.0
  F  F15  1  0.297  0.864  0.432  1.0
  F  F16  1  0.203  0.364  0.432  1.0
  F  F17  1  0.196  0.700  0.107  1.0
[/CIF]
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The structure described by Co3(OF2)2 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), one F(1), and three equivalent F(2) atoms to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. O(1) is bonded in a distorted trigonal planar geometry to one Co(2) and two equivalent Co(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 Co(1) and two equivalent Co(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to three equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_Co3(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.700
_cell_length_b   5.657
_cell_length_c   7.807
_cell_angle_alpha   87.179
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   207.332
_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
  Co  Co0  1  0.458  0.847  0.676  1.0
  Co  Co1  1  0.542  0.153  0.324  1.0
  Co  Co2  1  0.500  0.500  0.000  1.0
  Co  Co3  1  0.000  0.000  0.000  1.0
  Co  Co4  1  0.958  0.653  0.324  1.0
  Co  Co5  1  0.042  0.347  0.676  1.0
  O  O6  1  0.799  0.964  0.233  1.0
  O  O7  1  0.701  0.464  0.233  1.0
  O  O8  1  0.299  0.536  0.767  1.0
  O  O9  1  0.201  0.036  0.767  1.0
  F  F10  1  0.804  0.300  0.893  1.0
  F  F11  1  0.797  0.636  0.568  1.0
  F  F12  1  0.696  0.800  0.893  1.0
  F  F13  1  0.703  0.136  0.568  1.0
  F  F14  1  0.304  0.200  0.107  1.0
  F  F15  1  0.297  0.864  0.432  1.0
  F  F16  1  0.203  0.364  0.432  1.0
  F  F17  1  0.196  0.700  0.107  1.0
[/CIF]
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