The compound described by Co3(O2F)2 is Hydrophilite-derived structured and crystallizes in the monoclinic Cm space group. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4), two equivalent O(2), two equivalent O(5), and one F(1) atom to form distorted CoO5F octahedra that share corners with two equivalent Co(2)O4F2 octahedra, corners with three equivalent Co(3)O3F3 octahedra, corners with three equivalent Co(6)O3F3 octahedra,  an edgeedge with one Co(5)O4F2 octahedra, and  an edgeedge with one Co(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 41-53°. In the second Co site, Co(2) is bonded to one O(3), one O(4), two equivalent O(1), one F(1), and one F(2) atom to form CoO4F2 octahedra that share corners with two equivalent Co(1)O5F octahedra, corners with three equivalent Co(5)O4F2 octahedra, corners with three equivalent Co(4)O5F octahedra,  an edgeedge with one Co(3)O3F3 octahedra, and  an edgeedge with one Co(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. In the third Co site, Co(3) is bonded to one O(3), two equivalent O(2), one F(1), one F(3), and one F(4) atom to form CoO3F3 octahedra that share corners with two equivalent Co(4)O5F octahedra, corners with three equivalent Co(5)O4F2 octahedra, corners with three equivalent Co(1)O5F octahedra,  an edgeedge with one Co(6)O3F3 octahedra, and  an edgeedge with one Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the fourth Co site, Co(4) is bonded to one O(3), two equivalent O(1), two equivalent O(5), and one F(3) atom to form CoO5F octahedra that share corners with two equivalent Co(3)O3F3 octahedra, corners with three equivalent Co(6)O3F3 octahedra, corners with three equivalent Co(2)O4F2 octahedra,  an edgeedge with one Co(5)O4F2 octahedra, and  an edgeedge with one Co(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the fifth Co site, Co(5) is bonded to two equivalent O(1), two equivalent O(2), one F(2), and one F(4) atom to form CoO4F2 octahedra that share corners with two equivalent Co(6)O3F3 octahedra, corners with three equivalent Co(3)O3F3 octahedra, corners with three equivalent Co(2)O4F2 octahedra,  an edgeedge with one Co(1)O5F octahedra, and  an edgeedge with one Co(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 41-53°. In the sixth Co site, Co(6) is bonded to one O(4), two equivalent O(5), one F(2), one F(3), and one F(4) atom to form CoO3F3 octahedra that share corners with two equivalent Co(5)O4F2 octahedra, corners with three equivalent Co(1)O5F octahedra, corners with three equivalent Co(4)O5F octahedra,  an edgeedge with one Co(3)O3F3 octahedra, and  an edgeedge with one Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(2), one Co(4), and one Co(5) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1), one Co(3), and one Co(5) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one Co(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(6) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Co(1), one Co(4), and one Co(6) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one Co(3) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(5), and one Co(6) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(4), and one Co(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(5), and one Co(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co3(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.446
_cell_length_b   5.446
_cell_length_c   7.425
_cell_angle_alpha   68.756
_cell_angle_beta   68.756
_cell_angle_gamma   67.931
_symmetry_Int_Tables_number   1
_cell_volume   183.605
_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  0.679  0.679  0.858  1.0
  Co  Co1  1  0.659  0.659  0.325  1.0
  Co  Co2  1  0.337  0.337  0.655  1.0
  Co  Co3  1  0.339  0.339  0.178  1.0
  Co  Co4  1  0.997  0.997  0.497  1.0
  Co  Co5  1  0.992  0.992  0.997  1.0
  O  O6  1  0.970  0.360  0.330  1.0
  O  O7  1  0.642  0.030  0.669  1.0
  O  O8  1  0.443  0.443  0.372  1.0
  O  O9  1  0.764  0.764  0.049  1.0
  O  O10  1  0.360  0.970  0.330  1.0
  O  O11  1  0.030  0.642  0.669  1.0
  O  O12  1  0.693  0.306  0.003  1.0
  O  O13  1  0.306  0.693  0.003  1.0
  F  F14  1  0.577  0.577  0.613  1.0
  F  F15  1  0.882  0.882  0.305  1.0
  F  F16  1  0.228  0.228  0.954  1.0
  F  F17  1  0.102  0.102  0.695  1.0
[/CIF]
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The compound described by Co3(O2F)2 is Hydrophilite-derived structured and crystallizes in the monoclinic Cm space group. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4), two equivalent O(2), two equivalent O(5), and one F(1) atom to form distorted CoO5F octahedra that share corners with two equivalent Co(2)O4F2 octahedra, corners with three equivalent Co(3)O3F3 octahedra, corners with three equivalent Co(6)O3F3 octahedra,  an edgeedge with one Co(5)O4F2 octahedra, and  an edgeedge with one Co(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 41-53°. In the second Co site, Co(2) is bonded to one O(3), one O(4), two equivalent O(1), one F(1), and one F(2) atom to form CoO4F2 octahedra that share corners with two equivalent Co(1)O5F octahedra, corners with three equivalent Co(5)O4F2 octahedra, corners with three equivalent Co(4)O5F octahedra,  an edgeedge with one Co(3)O3F3 octahedra, and  an edgeedge with one Co(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. In the third Co site, Co(3) is bonded to one O(3), two equivalent O(2), one F(1), one F(3), and one F(4) atom to form CoO3F3 octahedra that share corners with two equivalent Co(4)O5F octahedra, corners with three equivalent Co(5)O4F2 octahedra, corners with three equivalent Co(1)O5F octahedra,  an edgeedge with one Co(6)O3F3 octahedra, and  an edgeedge with one Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the fourth Co site, Co(4) is bonded to one O(3), two equivalent O(1), two equivalent O(5), and one F(3) atom to form CoO5F octahedra that share corners with two equivalent Co(3)O3F3 octahedra, corners with three equivalent Co(6)O3F3 octahedra, corners with three equivalent Co(2)O4F2 octahedra,  an edgeedge with one Co(5)O4F2 octahedra, and  an edgeedge with one Co(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the fifth Co site, Co(5) is bonded to two equivalent O(1), two equivalent O(2), one F(2), and one F(4) atom to form CoO4F2 octahedra that share corners with two equivalent Co(6)O3F3 octahedra, corners with three equivalent Co(3)O3F3 octahedra, corners with three equivalent Co(2)O4F2 octahedra,  an edgeedge with one Co(1)O5F octahedra, and  an edgeedge with one Co(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 41-53°. In the sixth Co site, Co(6) is bonded to one O(4), two equivalent O(5), one F(2), one F(3), and one F(4) atom to form CoO3F3 octahedra that share corners with two equivalent Co(5)O4F2 octahedra, corners with three equivalent Co(1)O5F octahedra, corners with three equivalent Co(4)O5F octahedra,  an edgeedge with one Co(3)O3F3 octahedra, and  an edgeedge with one Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(2), one Co(4), and one Co(5) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1), one Co(3), and one Co(5) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one Co(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(6) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Co(1), one Co(4), and one Co(6) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one Co(3) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(5), and one Co(6) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(4), and one Co(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(5), and one Co(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co3(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.446
_cell_length_b   5.446
_cell_length_c   7.425
_cell_angle_alpha   68.756
_cell_angle_beta   68.756
_cell_angle_gamma   67.931
_symmetry_Int_Tables_number   1
_cell_volume   183.605
_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  0.679  0.679  0.858  1.0
  Co  Co1  1  0.659  0.659  0.325  1.0
  Co  Co2  1  0.337  0.337  0.655  1.0
  Co  Co3  1  0.339  0.339  0.178  1.0
  Co  Co4  1  0.997  0.997  0.497  1.0
  Co  Co5  1  0.992  0.992  0.997  1.0
  O  O6  1  0.970  0.360  0.330  1.0
  O  O7  1  0.642  0.030  0.669  1.0
  O  O8  1  0.443  0.443  0.372  1.0
  O  O9  1  0.764  0.764  0.049  1.0
  O  O10  1  0.360  0.970  0.330  1.0
  O  O11  1  0.030  0.642  0.669  1.0
  O  O12  1  0.693  0.306  0.003  1.0
  O  O13  1  0.306  0.693  0.003  1.0
  F  F14  1  0.577  0.577  0.613  1.0
  F  F15  1  0.882  0.882  0.305  1.0
  F  F16  1  0.228  0.228  0.954  1.0
  F  F17  1  0.102  0.102  0.695  1.0
[/CIF]
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