The compound described by Co3(OF2)2 is Hydrophilite-derived structured and crystallizes in the monoclinic C2/m space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), two equivalent F(1), and two equivalent F(3) atoms to form CoO2F4 octahedra that share corners with three equivalent Co(4)O2F4 octahedra, corners with five equivalent Co(2)O3F3 octahedra,  an edgeedge with one Co(3)F6 octahedra, and  an edgeedge with one Co(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the second Co site, Co(2) is bonded to one O(2), two equivalent O(1), one F(2), and two equivalent F(1) atoms to form CoO3F3 octahedra that share corners with three equivalent Co(3)F6 octahedra, corners with five equivalent Co(1)O2F4 octahedra,  an edgeedge with one Co(4)O2F4 octahedra, and  an edgeedge with one Co(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. In the third Co site, Co(3) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form CoF6 octahedra that share corners with two equivalent Co(4)O2F4 octahedra, corners with six equivalent Co(2)O3F3 octahedra, and edges with two equivalent Co(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-60°. In the fourth Co site, Co(4) is bonded to two equivalent O(2), two equivalent F(2), and two equivalent F(3) atoms to form CoO2F4 octahedra that share corners with two equivalent Co(3)F6 octahedra, corners with six equivalent Co(1)O2F4 octahedra, and edges with two equivalent Co(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 48-60°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Co(1) and two equivalent Co(2) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(4) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Co(2), one Co(3), and one Co(4) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Co(4) and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_Co3(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.625
_cell_length_b   5.625
_cell_length_c   6.984
_cell_angle_alpha   74.407
_cell_angle_beta   74.407
_cell_angle_gamma   76.002
_symmetry_Int_Tables_number   1
_cell_volume   201.583
_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  0.668  0.668  0.840  1.0
  Co  Co1  1  0.652  0.652  0.335  1.0
  Co  Co2  1  0.348  0.348  0.665  1.0
  Co  Co3  1  0.332  0.332  0.160  1.0
  Co  Co4  1  0.000  0.000  0.500  1.0
  Co  Co5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.565  0.565  0.630  1.0
  O  O7  1  0.248  0.248  0.956  1.0
  O  O8  1  0.435  0.435  0.370  1.0
  O  O9  1  0.752  0.752  0.044  1.0
  F  F10  1  0.975  0.360  0.330  1.0
  F  F11  1  0.640  0.025  0.670  1.0
  F  F12  1  0.879  0.879  0.307  1.0
  F  F13  1  0.121  0.121  0.693  1.0
  F  F14  1  0.360  0.975  0.330  1.0
  F  F15  1  0.025  0.640  0.670  1.0
  F  F16  1  0.701  0.299  0.000  1.0
  F  F17  1  0.299  0.701  0.000  1.0
[/CIF]
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The compound described by Co3(OF2)2 is Hydrophilite-derived structured and crystallizes in the monoclinic C2/m space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), two equivalent F(1), and two equivalent F(3) atoms to form CoO2F4 octahedra that share corners with three equivalent Co(4)O2F4 octahedra, corners with five equivalent Co(2)O3F3 octahedra,  an edgeedge with one Co(3)F6 octahedra, and  an edgeedge with one Co(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the second Co site, Co(2) is bonded to one O(2), two equivalent O(1), one F(2), and two equivalent F(1) atoms to form CoO3F3 octahedra that share corners with three equivalent Co(3)F6 octahedra, corners with five equivalent Co(1)O2F4 octahedra,  an edgeedge with one Co(4)O2F4 octahedra, and  an edgeedge with one Co(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. In the third Co site, Co(3) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form CoF6 octahedra that share corners with two equivalent Co(4)O2F4 octahedra, corners with six equivalent Co(2)O3F3 octahedra, and edges with two equivalent Co(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-60°. In the fourth Co site, Co(4) is bonded to two equivalent O(2), two equivalent F(2), and two equivalent F(3) atoms to form CoO2F4 octahedra that share corners with two equivalent Co(3)F6 octahedra, corners with six equivalent Co(1)O2F4 octahedra, and edges with two equivalent Co(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 48-60°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Co(1) and two equivalent Co(2) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(4) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Co(2), one Co(3), and one Co(4) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Co(4) and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_Co3(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.625
_cell_length_b   5.625
_cell_length_c   6.984
_cell_angle_alpha   74.407
_cell_angle_beta   74.407
_cell_angle_gamma   76.002
_symmetry_Int_Tables_number   1
_cell_volume   201.583
_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  0.668  0.668  0.840  1.0
  Co  Co1  1  0.652  0.652  0.335  1.0
  Co  Co2  1  0.348  0.348  0.665  1.0
  Co  Co3  1  0.332  0.332  0.160  1.0
  Co  Co4  1  0.000  0.000  0.500  1.0
  Co  Co5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.565  0.565  0.630  1.0
  O  O7  1  0.248  0.248  0.956  1.0
  O  O8  1  0.435  0.435  0.370  1.0
  O  O9  1  0.752  0.752  0.044  1.0
  F  F10  1  0.975  0.360  0.330  1.0
  F  F11  1  0.640  0.025  0.670  1.0
  F  F12  1  0.879  0.879  0.307  1.0
  F  F13  1  0.121  0.121  0.693  1.0
  F  F14  1  0.360  0.975  0.330  1.0
  F  F15  1  0.025  0.640  0.670  1.0
  F  F16  1  0.701  0.299  0.000  1.0
  F  F17  1  0.299  0.701  0.000  1.0
[/CIF]
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