The compound described by Co2O3F is Hydrophilite-derived structured and crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(5), two equivalent O(3), one F(1), and one F(3) atom to form CoO4F2 octahedra that share corners with four equivalent Co(3)O5F octahedra, corners with four equivalent Co(5)O5F octahedra,  an edgeedge with one Co(1)O4F2 octahedra, and  an edgeedge with one Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the second Co site, Co(2) is bonded to one O(1), one O(2), two equivalent O(4), one F(2), and one F(3) atom to form CoO4F2 octahedra that share corners with four equivalent Co(4)O5F octahedra, corners with four equivalent Co(5)O5F octahedra,  an edgeedge with one Co(1)O4F2 octahedra, and  an edgeedge with one Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-52°. In the third Co site, Co(3) is bonded to one O(5), four equivalent O(3), 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(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the fourth Co site, Co(4) is bonded to one O(1), four equivalent O(4), and one F(2) atom to form CoO5F octahedra that share corners with eight equivalent Co(2)O4F2 octahedra and edges with two equivalent Co(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the fifth Co site, Co(5) is bonded to one O(2), two equivalent O(3), two equivalent O(4), and one F(3) atom to form CoO5F octahedra that share corners with four equivalent Co(1)O4F2 octahedra, corners with four equivalent Co(2)O4F2 octahedra,  an edgeedge with one Co(3)O5F octahedra, and  an edgeedge with one Co(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 43-52°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(4) and two equivalent Co(2) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(5) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(1), one Co(3), and one Co(5) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(2), one Co(4), and one Co(5) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Co(3) and two equivalent Co(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Co(3) and two equivalent Co(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Co(4) and two equivalent Co(2) atoms. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(5) atom. is represented by the CIF file [CIF]
data_Co2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.385
_cell_length_b   4.385
_cell_length_c   11.802
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   92.814
_symmetry_Int_Tables_number   1
_cell_volume   226.701
_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  0.997  0.003  0.625  1.0
  Co  Co1  1  0.997  0.003  0.375  1.0
  Co  Co2  1  0.986  0.014  0.125  1.0
  Co  Co3  1  0.986  0.014  0.875  1.0
  Co  Co4  1  0.470  0.530  0.500  1.0
  Co  Co5  1  0.520  0.480  0.000  1.0
  Co  Co6  1  0.521  0.479  0.250  1.0
  Co  Co7  1  0.521  0.479  0.750  1.0
  O  O8  1  0.802  0.198  0.000  1.0
  O  O9  1  0.804  0.196  0.250  1.0
  O  O10  1  0.804  0.196  0.750  1.0
  O  O11  1  0.300  0.313  0.625  1.0
  O  O12  1  0.300  0.313  0.375  1.0
  O  O13  1  0.313  0.297  0.875  1.0
  O  O14  1  0.313  0.297  0.125  1.0
  O  O15  1  0.687  0.700  0.625  1.0
  O  O16  1  0.687  0.700  0.375  1.0
  O  O17  1  0.703  0.687  0.125  1.0
  O  O18  1  0.703  0.687  0.875  1.0
  O  O19  1  0.189  0.811  0.500  1.0
  F  F20  1  0.776  0.224  0.500  1.0
  F  F21  1  0.199  0.801  0.000  1.0
  F  F22  1  0.211  0.789  0.246  1.0
  F  F23  1  0.211  0.789  0.754  1.0
[/CIF]
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The compound described by Co2O3F is Hydrophilite-derived structured and crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(5), two equivalent O(3), one F(1), and one F(3) atom to form CoO4F2 octahedra that share corners with four equivalent Co(3)O5F octahedra, corners with four equivalent Co(5)O5F octahedra,  an edgeedge with one Co(1)O4F2 octahedra, and  an edgeedge with one Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the second Co site, Co(2) is bonded to one O(1), one O(2), two equivalent O(4), one F(2), and one F(3) atom to form CoO4F2 octahedra that share corners with four equivalent Co(4)O5F octahedra, corners with four equivalent Co(5)O5F octahedra,  an edgeedge with one Co(1)O4F2 octahedra, and  an edgeedge with one Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-52°. In the third Co site, Co(3) is bonded to one O(5), four equivalent O(3), 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(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the fourth Co site, Co(4) is bonded to one O(1), four equivalent O(4), and one F(2) atom to form CoO5F octahedra that share corners with eight equivalent Co(2)O4F2 octahedra and edges with two equivalent Co(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the fifth Co site, Co(5) is bonded to one O(2), two equivalent O(3), two equivalent O(4), and one F(3) atom to form CoO5F octahedra that share corners with four equivalent Co(1)O4F2 octahedra, corners with four equivalent Co(2)O4F2 octahedra,  an edgeedge with one Co(3)O5F octahedra, and  an edgeedge with one Co(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 43-52°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(4) and two equivalent Co(2) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(5) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(1), one Co(3), and one Co(5) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(2), one Co(4), and one Co(5) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Co(3) and two equivalent Co(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Co(3) and two equivalent Co(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Co(4) and two equivalent Co(2) atoms. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(5) atom. is represented by the CIF file [CIF]
data_Co2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.385
_cell_length_b   4.385
_cell_length_c   11.802
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   92.814
_symmetry_Int_Tables_number   1
_cell_volume   226.701
_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  0.997  0.003  0.625  1.0
  Co  Co1  1  0.997  0.003  0.375  1.0
  Co  Co2  1  0.986  0.014  0.125  1.0
  Co  Co3  1  0.986  0.014  0.875  1.0
  Co  Co4  1  0.470  0.530  0.500  1.0
  Co  Co5  1  0.520  0.480  0.000  1.0
  Co  Co6  1  0.521  0.479  0.250  1.0
  Co  Co7  1  0.521  0.479  0.750  1.0
  O  O8  1  0.802  0.198  0.000  1.0
  O  O9  1  0.804  0.196  0.250  1.0
  O  O10  1  0.804  0.196  0.750  1.0
  O  O11  1  0.300  0.313  0.625  1.0
  O  O12  1  0.300  0.313  0.375  1.0
  O  O13  1  0.313  0.297  0.875  1.0
  O  O14  1  0.313  0.297  0.125  1.0
  O  O15  1  0.687  0.700  0.625  1.0
  O  O16  1  0.687  0.700  0.375  1.0
  O  O17  1  0.703  0.687  0.125  1.0
  O  O18  1  0.703  0.687  0.875  1.0
  O  O19  1  0.189  0.811  0.500  1.0
  F  F20  1  0.776  0.224  0.500  1.0
  F  F21  1  0.199  0.801  0.000  1.0
  F  F22  1  0.211  0.789  0.246  1.0
  F  F23  1  0.211  0.789  0.754  1.0
[/CIF]
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