The structure described by Co2O3F is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form CoO4F2 octahedra that share corners with eight equivalent Co(2)O5F octahedra and edges with two equivalent Co(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the second Co site, Co(2) is bonded to one O(1), four equivalent O(2), and one F(1) atom to form CoO5F octahedra that share corners with eight equivalent Co(1)O4F2 octahedra and edges with two equivalent Co(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-52°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(2) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1) and two equivalent Co(2) atoms. F(1) is bonded in a distorted T-shaped geometry to one Co(2) and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_Co2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.365
_cell_length_b   4.365
_cell_length_c   5.916
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   92.438
_symmetry_Int_Tables_number   1
_cell_volume   112.624
_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  0.000  0.000  0.000  1.0
  Co  Co1  1  0.000  0.000  0.500  1.0
  Co  Co2  1  0.525  0.475  0.250  1.0
  Co  Co3  1  0.475  0.525  0.750  1.0
  O  O4  1  0.191  0.809  0.750  1.0
  O  O5  1  0.306  0.306  0.000  1.0
  O  O6  1  0.306  0.306  0.500  1.0
  O  O7  1  0.694  0.694  0.000  1.0
  O  O8  1  0.694  0.694  0.500  1.0
  O  O9  1  0.809  0.191  0.250  1.0
  F  F10  1  0.220  0.780  0.250  1.0
  F  F11  1  0.780  0.220  0.750  1.0
[/CIF]
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The structure described by Co2O3F is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form CoO4F2 octahedra that share corners with eight equivalent Co(2)O5F octahedra and edges with two equivalent Co(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the second Co site, Co(2) is bonded to one O(1), four equivalent O(2), and one F(1) atom to form CoO5F octahedra that share corners with eight equivalent Co(1)O4F2 octahedra and edges with two equivalent Co(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-52°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(2) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1) and two equivalent Co(2) atoms. F(1) is bonded in a distorted T-shaped geometry to one Co(2) and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_Co2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.365
_cell_length_b   4.365
_cell_length_c   5.916
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   92.438
_symmetry_Int_Tables_number   1
_cell_volume   112.624
_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  0.000  0.000  0.000  1.0
  Co  Co1  1  0.000  0.000  0.500  1.0
  Co  Co2  1  0.525  0.475  0.250  1.0
  Co  Co3  1  0.475  0.525  0.750  1.0
  O  O4  1  0.191  0.809  0.750  1.0
  O  O5  1  0.306  0.306  0.000  1.0
  O  O6  1  0.306  0.306  0.500  1.0
  O  O7  1  0.694  0.694  0.000  1.0
  O  O8  1  0.694  0.694  0.500  1.0
  O  O9  1  0.809  0.191  0.250  1.0
  F  F10  1  0.220  0.780  0.250  1.0
  F  F11  1  0.780  0.220  0.750  1.0
[/CIF]
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