The crystal 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), two equivalent F(1), and two equivalent F(2) atoms to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. O(1) is bonded in a distorted trigonal planar geometry to one Co(1) and two equivalent Co(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Co(1) and two equivalent Co(2) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to one Co(1) and two equivalent Co(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co3(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.636
_cell_length_b   9.342
_cell_length_c   4.625
_cell_angle_alpha   90.349
_cell_angle_beta   90.001
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   200.301
_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  0.500  0.833  0.500  1.0
  Co  Co1  1  0.463  0.159  0.541  1.0
  Co  Co2  1  0.537  0.507  0.459  1.0
  Co  Co3  1  0.000  0.333  1.000  1.0
  Co  Co4  1  0.963  0.007  0.959  1.0
  Co  Co5  1  0.037  0.659  0.041  1.0
  O  O6  1  0.814  0.500  0.199  1.0
  O  O7  1  0.314  0.666  0.301  1.0
  O  O8  1  0.686  0.000  0.699  1.0
  O  O9  1  0.186  0.166  0.801  1.0
  F  F10  1  0.777  0.165  0.211  1.0
  F  F11  1  0.277  0.002  0.289  1.0
  F  F12  1  0.723  0.665  0.711  1.0
  F  F13  1  0.223  0.502  0.789  1.0
  F  F14  1  0.809  0.834  0.193  1.0
  F  F15  1  0.309  0.333  0.307  1.0
  F  F16  1  0.691  0.334  0.693  1.0
  F  F17  1  0.191  0.833  0.807  1.0
[/CIF]
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The crystal 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), two equivalent F(1), and two equivalent F(2) atoms to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form a mixture of corner and edge-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. O(1) is bonded in a distorted trigonal planar geometry to one Co(1) and two equivalent Co(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Co(1) and two equivalent Co(2) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to one Co(1) and two equivalent Co(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co3(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.636
_cell_length_b   9.342
_cell_length_c   4.625
_cell_angle_alpha   90.349
_cell_angle_beta   90.001
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   200.301
_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  0.500  0.833  0.500  1.0
  Co  Co1  1  0.463  0.159  0.541  1.0
  Co  Co2  1  0.537  0.507  0.459  1.0
  Co  Co3  1  0.000  0.333  1.000  1.0
  Co  Co4  1  0.963  0.007  0.959  1.0
  Co  Co5  1  0.037  0.659  0.041  1.0
  O  O6  1  0.814  0.500  0.199  1.0
  O  O7  1  0.314  0.666  0.301  1.0
  O  O8  1  0.686  0.000  0.699  1.0
  O  O9  1  0.186  0.166  0.801  1.0
  F  F10  1  0.777  0.165  0.211  1.0
  F  F11  1  0.277  0.002  0.289  1.0
  F  F12  1  0.723  0.665  0.711  1.0
  F  F13  1  0.223  0.502  0.789  1.0
  F  F14  1  0.809  0.834  0.193  1.0
  F  F15  1  0.309  0.333  0.307  1.0
  F  F16  1  0.691  0.334  0.693  1.0
  F  F17  1  0.191  0.833  0.807  1.0
[/CIF]
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