The compound described by Co3O5F is Hydrophilite-derived structured and crystallizes in the monoclinic P2/m space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with eight equivalent Co(3)O5F octahedra and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Co site, Co(2) is bonded to one O(3), one O(5), two equivalent O(2), and two equivalent F(1) atoms to form CoO4F2 octahedra that share corners with four equivalent Co(3)O5F octahedra, corners with four equivalent Co(4)O6 octahedra, and edges with two equivalent Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the third Co site, Co(3) is bonded to one O(1), two equivalent O(3), two equivalent O(4), and one F(1) atom to form CoO5F octahedra that share corners with four equivalent Co(2)O4F2 octahedra, corners with four equivalent Co(1)O6 octahedra, and edges with two equivalent Co(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the fourth Co site, Co(4) is bonded to two equivalent O(2) and four equivalent O(5) atoms to form CoO6 octahedra that share corners with eight equivalent Co(2)O4F2 octahedra and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are five 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 distorted trigonal planar geometry to one Co(4) and two equivalent Co(2) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(2) and two equivalent Co(3) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(1) and two equivalent Co(3) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Co(2) and two equivalent Co(4) atoms. F(1) is bonded in a distorted T-shaped geometry to one Co(3) and two equivalent Co(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co3O5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.911
_cell_length_b   4.514
_cell_length_c   13.539
_cell_angle_alpha   86.991
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   177.676
_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  0.023  0.343  1.0
  Co  Co2  1  0.000  0.977  0.657  1.0
  Co  Co3  1  0.500  0.476  0.158  1.0
  Co  Co4  1  0.500  0.500  0.500  1.0
  Co  Co5  1  0.500  0.524  0.842  1.0
  O  O6  1  0.500  0.820  0.938  1.0
  O  O7  1  0.500  0.783  0.595  1.0
  O  O8  1  0.000  0.692  0.770  1.0
  O  O9  1  0.000  0.687  0.099  1.0
  O  O10  1  0.000  0.697  0.437  1.0
  O  O11  1  0.000  0.303  0.563  1.0
  O  O12  1  0.000  0.308  0.230  1.0
  O  O13  1  0.000  0.313  0.901  1.0
  O  O14  1  0.500  0.180  0.062  1.0
  O  O15  1  0.500  0.217  0.405  1.0
  F  F16  1  0.500  0.812  0.270  1.0
  F  F17  1  0.500  0.188  0.730  1.0
[/CIF]
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The compound described by Co3O5F is Hydrophilite-derived structured and crystallizes in the monoclinic P2/m space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with eight equivalent Co(3)O5F octahedra and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Co site, Co(2) is bonded to one O(3), one O(5), two equivalent O(2), and two equivalent F(1) atoms to form CoO4F2 octahedra that share corners with four equivalent Co(3)O5F octahedra, corners with four equivalent Co(4)O6 octahedra, and edges with two equivalent Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the third Co site, Co(3) is bonded to one O(1), two equivalent O(3), two equivalent O(4), and one F(1) atom to form CoO5F octahedra that share corners with four equivalent Co(2)O4F2 octahedra, corners with four equivalent Co(1)O6 octahedra, and edges with two equivalent Co(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the fourth Co site, Co(4) is bonded to two equivalent O(2) and four equivalent O(5) atoms to form CoO6 octahedra that share corners with eight equivalent Co(2)O4F2 octahedra and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are five 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 distorted trigonal planar geometry to one Co(4) and two equivalent Co(2) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(2) and two equivalent Co(3) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(1) and two equivalent Co(3) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Co(2) and two equivalent Co(4) atoms. F(1) is bonded in a distorted T-shaped geometry to one Co(3) and two equivalent Co(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co3O5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.911
_cell_length_b   4.514
_cell_length_c   13.539
_cell_angle_alpha   86.991
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   177.676
_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  0.023  0.343  1.0
  Co  Co2  1  0.000  0.977  0.657  1.0
  Co  Co3  1  0.500  0.476  0.158  1.0
  Co  Co4  1  0.500  0.500  0.500  1.0
  Co  Co5  1  0.500  0.524  0.842  1.0
  O  O6  1  0.500  0.820  0.938  1.0
  O  O7  1  0.500  0.783  0.595  1.0
  O  O8  1  0.000  0.692  0.770  1.0
  O  O9  1  0.000  0.687  0.099  1.0
  O  O10  1  0.000  0.697  0.437  1.0
  O  O11  1  0.000  0.303  0.563  1.0
  O  O12  1  0.000  0.308  0.230  1.0
  O  O13  1  0.000  0.313  0.901  1.0
  O  O14  1  0.500  0.180  0.062  1.0
  O  O15  1  0.500  0.217  0.405  1.0
  F  F16  1  0.500  0.812  0.270  1.0
  F  F17  1  0.500  0.188  0.730  1.0
[/CIF]
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