The structure described by Co3OF5 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 two equivalent F(3) and four equivalent F(2) atoms to form CoF6 octahedra that share corners with two equivalent Co(2)F6 octahedra, corners with six equivalent Co(3)O2F4 octahedra, and edges with two equivalent Co(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. In the second Co site, Co(2) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form CoF6 octahedra that share corners with two equivalent Co(1)F6 octahedra, corners with six equivalent Co(4)OF5 octahedra, and edges with two equivalent Co(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. In the third Co site, Co(3) is bonded to two equivalent O(1), one F(3), one F(4), and two equivalent F(2) atoms to form CoO2F4 octahedra that share corners with three equivalent Co(1)F6 octahedra, corners with five equivalent Co(4)OF5 octahedra,  an edgeedge with one Co(2)F6 octahedra, and  an edgeedge with one Co(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the fourth Co site, Co(4) is bonded to one O(1), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form CoOF5 octahedra that share corners with three equivalent Co(2)F6 octahedra, corners with five equivalent Co(3)O2F4 octahedra,  an edgeedge with one Co(1)F6 octahedra, and  an edgeedge with one Co(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-53°. O(1) is bonded in a distorted T-shaped geometry to one Co(4) and two equivalent Co(3) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Co(2) and two equivalent Co(4) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one Co(4) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Co(2), one Co(3), and one Co(4) atom. is represented by the CIF card [CIF]
data_Co3OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.700
_cell_length_b   5.700
_cell_length_c   7.314
_cell_angle_alpha   72.627
_cell_angle_beta   72.627
_cell_angle_gamma   73.703
_symmetry_Int_Tables_number   1
_cell_volume   211.585
_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  0.500  0.000  1.0
  Co  Co1  1  0.500  0.500  0.500  1.0
  Co  Co2  1  0.143  0.143  0.855  1.0
  Co  Co3  1  0.164  0.164  0.328  1.0
  Co  Co4  1  0.836  0.836  0.672  1.0
  Co  Co5  1  0.857  0.857  0.145  1.0
  O  O6  1  0.069  0.069  0.135  1.0
  O  O7  1  0.931  0.931  0.865  1.0
  F  F8  1  0.800  0.200  0.500  1.0
  F  F9  1  0.464  0.861  0.828  1.0
  F  F10  1  0.386  0.386  0.804  1.0
  F  F11  1  0.740  0.740  0.457  1.0
  F  F12  1  0.260  0.260  0.543  1.0
  F  F13  1  0.614  0.614  0.196  1.0
  F  F14  1  0.200  0.800  0.500  1.0
  F  F15  1  0.861  0.464  0.828  1.0
  F  F16  1  0.536  0.139  0.172  1.0
  F  F17  1  0.139  0.536  0.172  1.0
[/CIF]
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The structure described by Co3OF5 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 two equivalent F(3) and four equivalent F(2) atoms to form CoF6 octahedra that share corners with two equivalent Co(2)F6 octahedra, corners with six equivalent Co(3)O2F4 octahedra, and edges with two equivalent Co(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. In the second Co site, Co(2) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form CoF6 octahedra that share corners with two equivalent Co(1)F6 octahedra, corners with six equivalent Co(4)OF5 octahedra, and edges with two equivalent Co(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. In the third Co site, Co(3) is bonded to two equivalent O(1), one F(3), one F(4), and two equivalent F(2) atoms to form CoO2F4 octahedra that share corners with three equivalent Co(1)F6 octahedra, corners with five equivalent Co(4)OF5 octahedra,  an edgeedge with one Co(2)F6 octahedra, and  an edgeedge with one Co(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the fourth Co site, Co(4) is bonded to one O(1), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form CoOF5 octahedra that share corners with three equivalent Co(2)F6 octahedra, corners with five equivalent Co(3)O2F4 octahedra,  an edgeedge with one Co(1)F6 octahedra, and  an edgeedge with one Co(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-53°. O(1) is bonded in a distorted T-shaped geometry to one Co(4) and two equivalent Co(3) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Co(2) and two equivalent Co(4) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one Co(4) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Co(2), one Co(3), and one Co(4) atom. is represented by the CIF card [CIF]
data_Co3OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.700
_cell_length_b   5.700
_cell_length_c   7.314
_cell_angle_alpha   72.627
_cell_angle_beta   72.627
_cell_angle_gamma   73.703
_symmetry_Int_Tables_number   1
_cell_volume   211.585
_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  0.500  0.000  1.0
  Co  Co1  1  0.500  0.500  0.500  1.0
  Co  Co2  1  0.143  0.143  0.855  1.0
  Co  Co3  1  0.164  0.164  0.328  1.0
  Co  Co4  1  0.836  0.836  0.672  1.0
  Co  Co5  1  0.857  0.857  0.145  1.0
  O  O6  1  0.069  0.069  0.135  1.0
  O  O7  1  0.931  0.931  0.865  1.0
  F  F8  1  0.800  0.200  0.500  1.0
  F  F9  1  0.464  0.861  0.828  1.0
  F  F10  1  0.386  0.386  0.804  1.0
  F  F11  1  0.740  0.740  0.457  1.0
  F  F12  1  0.260  0.260  0.543  1.0
  F  F13  1  0.614  0.614  0.196  1.0
  F  F14  1  0.200  0.800  0.500  1.0
  F  F15  1  0.861  0.464  0.828  1.0
  F  F16  1  0.536  0.139  0.172  1.0
  F  F17  1  0.139  0.536  0.172  1.0
[/CIF]
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