The crystal structure described by Co2OF3 is Hydrophilite-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one F(1), one F(2), and two equivalent F(4) atoms to form CoO2F4 octahedra that share corners with four equivalent Co(2)OF5 octahedra, corners with four equivalent Co(3)OF5 octahedra, and edges with two equivalent Co(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. In the second Co site, Co(2) is bonded to one O(2), one F(1), two equivalent F(3), and two equivalent F(4) atoms to form CoOF5 octahedra that share corners with four equivalent Co(1)O2F4 octahedra, corners with four equivalent Co(4)O2F4 octahedra, and edges with two equivalent Co(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 45-57°. In the third Co site, Co(3) is bonded to one O(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms to form CoOF5 octahedra that share corners with four equivalent Co(1)O2F4 octahedra, corners with four equivalent Co(4)O2F4 octahedra, and edges with two equivalent Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the fourth Co site, Co(4) is bonded to one O(1), one O(2), one F(1), one F(2), and two equivalent F(3) atoms to form CoO2F4 octahedra that share corners with four equivalent Co(2)OF5 octahedra, corners with four equivalent Co(3)OF5 octahedra, and edges with two equivalent Co(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. 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), one Co(3), and one Co(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped 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(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(2), one Co(3), and one Co(4) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.713
_cell_length_b   4.713
_cell_length_c   6.204
_cell_angle_alpha   90.832
_cell_angle_beta   90.830
_cell_angle_gamma   93.222
_symmetry_Int_Tables_number   1
_cell_volume   137.534
_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  0.507  0.507  0.754  1.0
  Co  Co1  1  0.972  0.972  0.997  1.0
  Co  Co2  1  0.040  0.040  0.503  1.0
  Co  Co3  1  0.501  0.501  0.250  1.0
  O  O4  1  0.313  0.313  0.517  1.0
  O  O5  1  0.674  0.674  0.984  1.0
  F  F6  1  0.283  0.283  0.997  1.0
  F  F7  1  0.719  0.719  0.503  1.0
  F  F8  1  0.192  0.805  0.258  1.0
  F  F9  1  0.193  0.801  0.740  1.0
  F  F10  1  0.805  0.192  0.258  1.0
  F  F11  1  0.801  0.193  0.740  1.0
[/CIF]
.
The crystal structure described by Co2OF3 is Hydrophilite-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one F(1), one F(2), and two equivalent F(4) atoms to form CoO2F4 octahedra that share corners with four equivalent Co(2)OF5 octahedra, corners with four equivalent Co(3)OF5 octahedra, and edges with two equivalent Co(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. In the second Co site, Co(2) is bonded to one O(2), one F(1), two equivalent F(3), and two equivalent F(4) atoms to form CoOF5 octahedra that share corners with four equivalent Co(1)O2F4 octahedra, corners with four equivalent Co(4)O2F4 octahedra, and edges with two equivalent Co(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 45-57°. In the third Co site, Co(3) is bonded to one O(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms to form CoOF5 octahedra that share corners with four equivalent Co(1)O2F4 octahedra, corners with four equivalent Co(4)O2F4 octahedra, and edges with two equivalent Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the fourth Co site, Co(4) is bonded to one O(1), one O(2), one F(1), one F(2), and two equivalent F(3) atoms to form CoO2F4 octahedra that share corners with four equivalent Co(2)OF5 octahedra, corners with four equivalent Co(3)OF5 octahedra, and edges with two equivalent Co(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. 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), one Co(3), and one Co(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped 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(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(2), one Co(3), and one Co(4) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.713
_cell_length_b   4.713
_cell_length_c   6.204
_cell_angle_alpha   90.832
_cell_angle_beta   90.830
_cell_angle_gamma   93.222
_symmetry_Int_Tables_number   1
_cell_volume   137.534
_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  0.507  0.507  0.754  1.0
  Co  Co1  1  0.972  0.972  0.997  1.0
  Co  Co2  1  0.040  0.040  0.503  1.0
  Co  Co3  1  0.501  0.501  0.250  1.0
  O  O4  1  0.313  0.313  0.517  1.0
  O  O5  1  0.674  0.674  0.984  1.0
  F  F6  1  0.283  0.283  0.997  1.0
  F  F7  1  0.719  0.719  0.503  1.0
  F  F8  1  0.192  0.805  0.258  1.0
  F  F9  1  0.193  0.801  0.740  1.0
  F  F10  1  0.805  0.192  0.258  1.0
  F  F11  1  0.801  0.193  0.740  1.0
[/CIF]
.