The crystal 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 one F(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form CoF6 octahedra that share corners with three equivalent Co(3)O2F4 octahedra, corners with five equivalent Co(2)OF5 octahedra,  an edgeedge with one Co(1)F6 octahedra, and  an edgeedge with one Co(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 41-61°. In the second Co site, Co(2) is bonded to one O(1), one F(3), two equivalent F(1), and two equivalent F(4) atoms to form CoOF5 octahedra that share corners with three equivalent Co(4)O2F4 octahedra, corners with five equivalent Co(1)F6 octahedra,  an edgeedge with one Co(3)O2F4 octahedra, and  an edgeedge with one Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 41-61°. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent F(2), and two equivalent F(3) atoms to form CoO2F4 octahedra that share corners with two equivalent Co(4)O2F4 octahedra, corners with six equivalent Co(1)F6 octahedra, and edges with two equivalent Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the fourth Co site, Co(4) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form CoO2F4 octahedra that share corners with two equivalent Co(3)O2F4 octahedra, corners with six equivalent Co(2)OF5 octahedra, and edges with two equivalent Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. O(1) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one Co(4) atom. There are four 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(4) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Co(3) and two equivalent Co(1) atoms. In the third F site, F(3) is bonded in a distorted T-shaped 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(1) and two equivalent Co(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co3OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.683
_cell_length_b   5.683
_cell_length_c   7.376
_cell_angle_alpha   73.075
_cell_angle_beta   73.075
_cell_angle_gamma   74.112
_symmetry_Int_Tables_number   1
_cell_volume   213.335
_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  0.337  0.337  0.167  1.0
  Co  Co1  1  0.309  0.309  0.660  1.0
  Co  Co2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.000  0.000  0.500  1.0
  Co  Co4  1  0.663  0.663  0.833  1.0
  Co  Co5  1  0.691  0.691  0.340  1.0
  O  O6  1  0.898  0.898  0.304  1.0
  O  O7  1  0.102  0.102  0.696  1.0
  F  F8  1  0.631  0.027  0.664  1.0
  F  F9  1  0.302  0.698  0.000  1.0
  F  F10  1  0.239  0.239  0.958  1.0
  F  F11  1  0.555  0.555  0.632  1.0
  F  F12  1  0.445  0.445  0.368  1.0
  F  F13  1  0.761  0.761  0.042  1.0
  F  F14  1  0.027  0.631  0.664  1.0
  F  F15  1  0.698  0.302  0.000  1.0
  F  F16  1  0.369  0.973  0.336  1.0
  F  F17  1  0.973  0.369  0.336  1.0
[/CIF]
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The crystal 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 one F(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form CoF6 octahedra that share corners with three equivalent Co(3)O2F4 octahedra, corners with five equivalent Co(2)OF5 octahedra,  an edgeedge with one Co(1)F6 octahedra, and  an edgeedge with one Co(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 41-61°. In the second Co site, Co(2) is bonded to one O(1), one F(3), two equivalent F(1), and two equivalent F(4) atoms to form CoOF5 octahedra that share corners with three equivalent Co(4)O2F4 octahedra, corners with five equivalent Co(1)F6 octahedra,  an edgeedge with one Co(3)O2F4 octahedra, and  an edgeedge with one Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 41-61°. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent F(2), and two equivalent F(3) atoms to form CoO2F4 octahedra that share corners with two equivalent Co(4)O2F4 octahedra, corners with six equivalent Co(1)F6 octahedra, and edges with two equivalent Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the fourth Co site, Co(4) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form CoO2F4 octahedra that share corners with two equivalent Co(3)O2F4 octahedra, corners with six equivalent Co(2)OF5 octahedra, and edges with two equivalent Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. O(1) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one Co(4) atom. There are four 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(4) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Co(3) and two equivalent Co(1) atoms. In the third F site, F(3) is bonded in a distorted T-shaped 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(1) and two equivalent Co(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co3OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.683
_cell_length_b   5.683
_cell_length_c   7.376
_cell_angle_alpha   73.075
_cell_angle_beta   73.075
_cell_angle_gamma   74.112
_symmetry_Int_Tables_number   1
_cell_volume   213.335
_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  0.337  0.337  0.167  1.0
  Co  Co1  1  0.309  0.309  0.660  1.0
  Co  Co2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.000  0.000  0.500  1.0
  Co  Co4  1  0.663  0.663  0.833  1.0
  Co  Co5  1  0.691  0.691  0.340  1.0
  O  O6  1  0.898  0.898  0.304  1.0
  O  O7  1  0.102  0.102  0.696  1.0
  F  F8  1  0.631  0.027  0.664  1.0
  F  F9  1  0.302  0.698  0.000  1.0
  F  F10  1  0.239  0.239  0.958  1.0
  F  F11  1  0.555  0.555  0.632  1.0
  F  F12  1  0.445  0.445  0.368  1.0
  F  F13  1  0.761  0.761  0.042  1.0
  F  F14  1  0.027  0.631  0.664  1.0
  F  F15  1  0.698  0.302  0.000  1.0
  F  F16  1  0.369  0.973  0.336  1.0
  F  F17  1  0.973  0.369  0.336  1.0
[/CIF]
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