The material described by CoOF is Hydrophilite-derived structured and crystallizes in the tetragonal P4_12_12 space group. Co(1) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form a mixture of edge and corner-sharing CoO3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. O(1) is bonded in a trigonal planar geometry to three equivalent Co(1) atoms. F(1) is bonded in a distorted trigonal planar geometry to three equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_CoOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.480
_cell_length_b   4.480
_cell_length_c   6.086
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   122.168
_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  0.472  0.472  0.000  1.0
  Co  Co1  1  0.528  0.528  0.500  1.0
  Co  Co2  1  0.028  0.972  0.250  1.0
  Co  Co3  1  0.972  0.028  0.750  1.0
  O  O4  1  0.680  0.320  0.750  1.0
  O  O5  1  0.820  0.820  0.500  1.0
  O  O6  1  0.180  0.180  0.000  1.0
  O  O7  1  0.320  0.680  0.250  1.0
  F  F8  1  0.722  0.278  0.250  1.0
  F  F9  1  0.778  0.778  0.000  1.0
  F  F10  1  0.222  0.222  0.500  1.0
  F  F11  1  0.278  0.722  0.750  1.0
[/CIF]
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The material described by CoOF is Hydrophilite-derived structured and crystallizes in the tetragonal P4_12_12 space group. Co(1) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form a mixture of edge and corner-sharing CoO3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. O(1) is bonded in a trigonal planar geometry to three equivalent Co(1) atoms. F(1) is bonded in a distorted trigonal planar geometry to three equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_CoOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.480
_cell_length_b   4.480
_cell_length_c   6.086
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   122.168
_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  0.472  0.472  0.000  1.0
  Co  Co1  1  0.528  0.528  0.500  1.0
  Co  Co2  1  0.028  0.972  0.250  1.0
  Co  Co3  1  0.972  0.028  0.750  1.0
  O  O4  1  0.680  0.320  0.750  1.0
  O  O5  1  0.820  0.820  0.500  1.0
  O  O6  1  0.180  0.180  0.000  1.0
  O  O7  1  0.320  0.680  0.250  1.0
  F  F8  1  0.722  0.278  0.250  1.0
  F  F9  1  0.778  0.778  0.000  1.0
  F  F10  1  0.222  0.222  0.500  1.0
  F  F11  1  0.278  0.722  0.750  1.0
[/CIF]
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