The material described by Co2OF3 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), one F(1), one F(2), one F(3), and one F(4) atom to form CoO2F4 octahedra that share corners with two equivalent Co(4)F6 octahedra, corners with two equivalent Co(2)O2F4 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 46-53°. In the second Co site, Co(2) is bonded to two equivalent O(2) and four equivalent F(2) atoms to form CoO2F4 octahedra that share corners with eight equivalent Co(1)O2F4 octahedra and edges with two equivalent Co(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the third Co site, Co(3) is bonded to one O(1), one F(4), and four equivalent F(1) atoms to form CoOF5 octahedra that share corners with eight equivalent Co(1)O2F4 octahedra and edges with two equivalent Co(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the fourth Co site, Co(4) is bonded to two equivalent F(3) and four equivalent F(2) atoms to form a mixture of corner and edge-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(3) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(2) and two equivalent Co(1) 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(1) and two equivalent Co(3) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), 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. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Co(3) and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_Co2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.085
_cell_length_b   10.085
_cell_length_c   4.805
_cell_angle_alpha   87.444
_cell_angle_beta   87.444
_cell_angle_gamma   35.224
_symmetry_Int_Tables_number   1
_cell_volume   281.532
_cell_formula_units_Z   4
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  0.868  0.382  0.499  1.0
  Co  Co1  1  0.382  0.868  0.499  1.0
  Co  Co2  1  0.132  0.618  0.501  1.0
  Co  Co3  1  0.618  0.132  0.501  1.0
  Co  Co4  1  0.500  0.500  0.000  1.0
  Co  Co5  1  0.240  0.240  0.040  1.0
  Co  Co6  1  0.000  0.000  0.000  1.0
  Co  Co7  1  0.760  0.760  0.960  1.0
  O  O8  1  0.830  0.830  0.681  1.0
  O  O9  1  0.582  0.582  0.673  1.0
  O  O10  1  0.170  0.170  0.319  1.0
  O  O11  1  0.418  0.418  0.327  1.0
  F  F12  1  0.952  0.452  0.807  1.0
  F  F13  1  0.201  0.700  0.805  1.0
  F  F14  1  0.452  0.952  0.807  1.0
  F  F15  1  0.700  0.201  0.805  1.0
  F  F16  1  0.075  0.075  0.701  1.0
  F  F17  1  0.320  0.320  0.717  1.0
  F  F18  1  0.925  0.925  0.299  1.0
  F  F19  1  0.680  0.680  0.283  1.0
  F  F20  1  0.548  0.048  0.193  1.0
  F  F21  1  0.048  0.548  0.193  1.0
  F  F22  1  0.799  0.300  0.195  1.0
  F  F23  1  0.300  0.799  0.195  1.0
[/CIF]
.
The material described by Co2OF3 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), one F(1), one F(2), one F(3), and one F(4) atom to form CoO2F4 octahedra that share corners with two equivalent Co(4)F6 octahedra, corners with two equivalent Co(2)O2F4 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 46-53°. In the second Co site, Co(2) is bonded to two equivalent O(2) and four equivalent F(2) atoms to form CoO2F4 octahedra that share corners with eight equivalent Co(1)O2F4 octahedra and edges with two equivalent Co(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the third Co site, Co(3) is bonded to one O(1), one F(4), and four equivalent F(1) atoms to form CoOF5 octahedra that share corners with eight equivalent Co(1)O2F4 octahedra and edges with two equivalent Co(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the fourth Co site, Co(4) is bonded to two equivalent F(3) and four equivalent F(2) atoms to form a mixture of corner and edge-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(3) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(2) and two equivalent Co(1) 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(1) and two equivalent Co(3) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), 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. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Co(3) and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_Co2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.085
_cell_length_b   10.085
_cell_length_c   4.805
_cell_angle_alpha   87.444
_cell_angle_beta   87.444
_cell_angle_gamma   35.224
_symmetry_Int_Tables_number   1
_cell_volume   281.532
_cell_formula_units_Z   4
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  0.868  0.382  0.499  1.0
  Co  Co1  1  0.382  0.868  0.499  1.0
  Co  Co2  1  0.132  0.618  0.501  1.0
  Co  Co3  1  0.618  0.132  0.501  1.0
  Co  Co4  1  0.500  0.500  0.000  1.0
  Co  Co5  1  0.240  0.240  0.040  1.0
  Co  Co6  1  0.000  0.000  0.000  1.0
  Co  Co7  1  0.760  0.760  0.960  1.0
  O  O8  1  0.830  0.830  0.681  1.0
  O  O9  1  0.582  0.582  0.673  1.0
  O  O10  1  0.170  0.170  0.319  1.0
  O  O11  1  0.418  0.418  0.327  1.0
  F  F12  1  0.952  0.452  0.807  1.0
  F  F13  1  0.201  0.700  0.805  1.0
  F  F14  1  0.452  0.952  0.807  1.0
  F  F15  1  0.700  0.201  0.805  1.0
  F  F16  1  0.075  0.075  0.701  1.0
  F  F17  1  0.320  0.320  0.717  1.0
  F  F18  1  0.925  0.925  0.299  1.0
  F  F19  1  0.680  0.680  0.283  1.0
  F  F20  1  0.548  0.048  0.193  1.0
  F  F21  1  0.048  0.548  0.193  1.0
  F  F22  1  0.799  0.300  0.195  1.0
  F  F23  1  0.300  0.799  0.195  1.0
[/CIF]
.