The material described by Co6O7F5 is Hydrophilite-derived structured and crystallizes in the monoclinic C2 space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(3) atom to form distorted CoO4F2 octahedra that share corners with three equivalent Co(4)O3F3 octahedra, corners with five equivalent Co(2)O3F3 octahedra,  an edgeedge with one Co(1)O4F2 octahedra, and  an edgeedge with one Co(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one F(2), and two equivalent F(1) atoms to form CoO3F3 octahedra that share corners with three equivalent Co(3)O4F2 octahedra, corners with five equivalent Co(1)O4F2 octahedra,  an edgeedge with one Co(2)O3F3 octahedra, and  an edgeedge with one Co(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent F(2) atoms to form CoO4F2 octahedra that share corners with two equivalent Co(4)O3F3 octahedra, corners with six equivalent Co(2)O3F3 octahedra, and edges with two equivalent Co(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. In the fourth Co site, Co(4) is bonded to one O(4), two equivalent O(2), one F(3), and two equivalent F(2) atoms to form CoO3F3 octahedra that share corners with two equivalent Co(3)O4F2 octahedra, corners with six equivalent Co(1)O4F2 octahedra, and edges with two equivalent Co(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(4) and two equivalent Co(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Co(1) and two equivalent Co(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one Co(4) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Co(4) and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_Co6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.473
_cell_length_b   5.473
_cell_length_c   7.508
_cell_angle_alpha   70.081
_cell_angle_beta   70.081
_cell_angle_gamma   69.149
_symmetry_Int_Tables_number   1
_cell_volume   191.323
_cell_formula_units_Z   1
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  0.696  0.679  0.855  1.0
  Co  Co1  1  0.670  0.658  0.328  1.0
  Co  Co2  1  0.342  0.330  0.672  1.0
  Co  Co3  1  0.321  0.304  0.145  1.0
  Co  Co4  1  0.004  0.996  0.500  1.0
  Co  Co5  1  0.980  0.020  0.000  1.0
  O  O6  1  0.964  0.354  0.330  1.0
  O  O7  1  0.646  0.036  0.670  1.0
  O  O8  1  0.216  0.228  0.965  1.0
  O  O9  1  0.772  0.784  0.035  1.0
  O  O10  1  0.361  0.957  0.333  1.0
  O  O11  1  0.043  0.639  0.667  1.0
  O  O12  1  0.683  0.317  0.000  1.0
  F  F13  1  0.574  0.571  0.629  1.0
  F  F14  1  0.896  0.893  0.299  1.0
  F  F15  1  0.429  0.426  0.371  1.0
  F  F16  1  0.107  0.104  0.701  1.0
  F  F17  1  0.296  0.704  0.000  1.0
[/CIF]
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The material described by Co6O7F5 is Hydrophilite-derived structured and crystallizes in the monoclinic C2 space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(3) atom to form distorted CoO4F2 octahedra that share corners with three equivalent Co(4)O3F3 octahedra, corners with five equivalent Co(2)O3F3 octahedra,  an edgeedge with one Co(1)O4F2 octahedra, and  an edgeedge with one Co(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one F(2), and two equivalent F(1) atoms to form CoO3F3 octahedra that share corners with three equivalent Co(3)O4F2 octahedra, corners with five equivalent Co(1)O4F2 octahedra,  an edgeedge with one Co(2)O3F3 octahedra, and  an edgeedge with one Co(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent F(2) atoms to form CoO4F2 octahedra that share corners with two equivalent Co(4)O3F3 octahedra, corners with six equivalent Co(2)O3F3 octahedra, and edges with two equivalent Co(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. In the fourth Co site, Co(4) is bonded to one O(4), two equivalent O(2), one F(3), and two equivalent F(2) atoms to form CoO3F3 octahedra that share corners with two equivalent Co(3)O4F2 octahedra, corners with six equivalent Co(1)O4F2 octahedra, and edges with two equivalent Co(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(4) and two equivalent Co(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Co(1) and two equivalent Co(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one Co(4) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Co(4) and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_Co6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.473
_cell_length_b   5.473
_cell_length_c   7.508
_cell_angle_alpha   70.081
_cell_angle_beta   70.081
_cell_angle_gamma   69.149
_symmetry_Int_Tables_number   1
_cell_volume   191.323
_cell_formula_units_Z   1
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  0.696  0.679  0.855  1.0
  Co  Co1  1  0.670  0.658  0.328  1.0
  Co  Co2  1  0.342  0.330  0.672  1.0
  Co  Co3  1  0.321  0.304  0.145  1.0
  Co  Co4  1  0.004  0.996  0.500  1.0
  Co  Co5  1  0.980  0.020  0.000  1.0
  O  O6  1  0.964  0.354  0.330  1.0
  O  O7  1  0.646  0.036  0.670  1.0
  O  O8  1  0.216  0.228  0.965  1.0
  O  O9  1  0.772  0.784  0.035  1.0
  O  O10  1  0.361  0.957  0.333  1.0
  O  O11  1  0.043  0.639  0.667  1.0
  O  O12  1  0.683  0.317  0.000  1.0
  F  F13  1  0.574  0.571  0.629  1.0
  F  F14  1  0.896  0.893  0.299  1.0
  F  F15  1  0.429  0.426  0.371  1.0
  F  F16  1  0.107  0.104  0.701  1.0
  F  F17  1  0.296  0.704  0.000  1.0
[/CIF]
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