The compound described by Co3OF5 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1 space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one F(3), two equivalent F(2), and two equivalent F(4) atoms to form a mixture of edge and corner-sharing CoOF5 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the second Co site, Co(2) is bonded to one O(1), one F(3), one F(4), one F(5), and two equivalent F(1) atoms to form a mixture of edge and corner-sharing CoOF5 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the third Co site, Co(3) is bonded to one O(1), one F(1), one F(2), one F(3), and two equivalent F(5) atoms to form a mixture of edge and corner-sharing CoOF5 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. O(1) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Co(3) and two equivalent Co(2) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to one Co(3) and two equivalent Co(1) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Co(2) and two equivalent Co(1) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Co(2) and two equivalent Co(3) atoms. is represented by the CIF card [CIF]
data_Co3OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.744
_cell_length_b   5.698
_cell_length_c   7.912
_cell_angle_alpha   87.174
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   213.587
_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  0.515  0.745  0.986  1.0
  Co  Co1  1  0.516  0.073  0.671  1.0
  Co  Co2  1  0.470  0.403  0.330  1.0
  Co  Co3  1  0.016  0.927  0.329  1.0
  Co  Co4  1  0.970  0.597  0.670  1.0
  Co  Co5  1  0.015  0.255  0.014  1.0
  O  O6  1  0.199  0.218  0.239  1.0
  O  O7  1  0.699  0.782  0.761  1.0
  F  F8  1  0.197  0.876  0.562  1.0
  F  F9  1  0.196  0.547  0.896  1.0
  F  F10  1  0.308  0.712  0.226  1.0
  F  F11  1  0.299  0.046  0.897  1.0
  F  F12  1  0.299  0.385  0.575  1.0
  F  F13  1  0.697  0.124  0.438  1.0
  F  F14  1  0.696  0.453  0.104  1.0
  F  F15  1  0.808  0.288  0.774  1.0
  F  F16  1  0.799  0.954  0.103  1.0
  F  F17  1  0.799  0.615  0.425  1.0
[/CIF]
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The compound described by Co3OF5 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1 space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one F(3), two equivalent F(2), and two equivalent F(4) atoms to form a mixture of edge and corner-sharing CoOF5 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the second Co site, Co(2) is bonded to one O(1), one F(3), one F(4), one F(5), and two equivalent F(1) atoms to form a mixture of edge and corner-sharing CoOF5 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the third Co site, Co(3) is bonded to one O(1), one F(1), one F(2), one F(3), and two equivalent F(5) atoms to form a mixture of edge and corner-sharing CoOF5 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. O(1) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Co(3) and two equivalent Co(2) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to one Co(3) and two equivalent Co(1) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Co(2) and two equivalent Co(1) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Co(2) and two equivalent Co(3) atoms. is represented by the CIF card [CIF]
data_Co3OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.744
_cell_length_b   5.698
_cell_length_c   7.912
_cell_angle_alpha   87.174
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   213.587
_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  0.515  0.745  0.986  1.0
  Co  Co1  1  0.516  0.073  0.671  1.0
  Co  Co2  1  0.470  0.403  0.330  1.0
  Co  Co3  1  0.016  0.927  0.329  1.0
  Co  Co4  1  0.970  0.597  0.670  1.0
  Co  Co5  1  0.015  0.255  0.014  1.0
  O  O6  1  0.199  0.218  0.239  1.0
  O  O7  1  0.699  0.782  0.761  1.0
  F  F8  1  0.197  0.876  0.562  1.0
  F  F9  1  0.196  0.547  0.896  1.0
  F  F10  1  0.308  0.712  0.226  1.0
  F  F11  1  0.299  0.046  0.897  1.0
  F  F12  1  0.299  0.385  0.575  1.0
  F  F13  1  0.697  0.124  0.438  1.0
  F  F14  1  0.696  0.453  0.104  1.0
  F  F15  1  0.808  0.288  0.774  1.0
  F  F16  1  0.799  0.954  0.103  1.0
  F  F17  1  0.799  0.615  0.425  1.0
[/CIF]
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