The structure described by MgCo6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(4), one O(5), one F(2), one F(3), and one F(4) atom to form distorted MgO3F3 octahedra that share corners with two equivalent Co(2)O4F2 octahedra,  a cornercorner with one Co(1)O3F2 square pyramid,  a cornercorner with one Co(5)O4F square pyramid,  a cornercorner with one Co(6)O5 trigonal bipyramid,  an edgeedge with one Co(5)O4F square pyramid,  an edgeedge with one Co(6)O5 trigonal bipyramid, and faces with two equivalent Co(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 42-52°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(6), one O(8), one F(1), and one F(3) atom to form distorted CoO3F2 square pyramids that share  a cornercorner with one Mg(1)O3F3 octahedra,  a cornercorner with one Co(3)O3F3 octahedra, corners with two equivalent Co(5)O4F square pyramids, corners with three equivalent Co(4)O5 square pyramids, and  an edgeedge with one Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 39-83°. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(7), one O(8), one F(1), and one F(4) atom to form CoO4F2 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with three equivalent Co(4)O5 square pyramids, corners with three equivalent Co(6)O5 trigonal bipyramids,  an edgeedge with one Co(3)O3F3 octahedra, and  an edgeedge with one Co(1)O3F2 square pyramid. The corner-sharing octahedral tilt angles range from 42-52°. In the third Co site, Co(3) is bonded to one O(1), one O(4), one O(5), one F(2), one F(3), and one F(4) atom to form CoO3F3 octahedra that share  a cornercorner with one Co(1)O3F2 square pyramid, corners with three equivalent Co(5)O4F square pyramids, corners with three equivalent Co(6)O5 trigonal bipyramids,  an edgeedge with one Co(2)O4F2 octahedra, and faces with two equivalent Mg(1)O3F3 octahedra. In the fourth Co site, Co(4) is bonded to one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form distorted CoO5 square pyramids that share corners with three equivalent Co(2)O4F2 octahedra, corners with three equivalent Co(1)O3F2 square pyramids,  an edgeedge with one Co(5)O4F square pyramid, and  an edgeedge with one Co(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-50°. In the fifth Co site, Co(5) is bonded to one O(3), one O(4), one O(5), one O(6), and one F(2) atom to form distorted CoO4F square pyramids that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with three equivalent Co(3)O3F3 octahedra, corners with two equivalent Co(1)O3F2 square pyramids,  an edgeedge with one Mg(1)O3F3 octahedra,  an edgeedge with one Co(4)O5 square pyramid, and  an edgeedge with one Co(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-80°. In the sixth Co site, Co(6) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(7) atom to form distorted CoO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with three equivalent Co(3)O3F3 octahedra, corners with three equivalent Co(2)O4F2 octahedra,  an edgeedge with one Mg(1)O3F3 octahedra,  an edgeedge with one Co(5)O4F square pyramid, and  an edgeedge with one Co(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 45-75°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(2), one Co(3), and one Co(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(2), one Co(4), and one Co(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(1), one Co(4), and one Co(5) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Co(3), one Co(5), and one Co(6) atom to form a mixture of edge and corner-sharing OMgCo3 trigonal pyramids. In the fifth O site, O(5) is bonded to one Mg(1), one Co(3), one Co(5), and one Co(6) atom to form a mixture of distorted edge and corner-sharing OMgCo3 trigonal pyramids. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Co(1), one Co(4), and one Co(5) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Co(2), one Co(4), and one Co(6) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in an L-shaped geometry to one Co(1) and one Co(2) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(3), and one Co(5) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Mg(1), one Co(1), and one Co(3) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(2), and one Co(3) atom. is represented by the CIF file [CIF]
data_MgCo6(O2F)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.071
_cell_length_b   5.079
_cell_length_c   8.569
_cell_angle_alpha   87.631
_cell_angle_beta   92.435
_cell_angle_gamma   103.218
_symmetry_Int_Tables_number   1
_cell_volume   214.548
_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
  Mg  Mg0  1  0.955  0.472  0.661  1.0
  Co  Co1  1  0.974  0.034  0.029  1.0
  Co  Co2  1  0.010  0.995  0.332  1.0
  Co  Co3  1  0.035  0.988  0.667  1.0
  Co  Co4  1  0.557  0.449  0.173  1.0
  Co  Co5  1  0.485  0.524  0.843  1.0
  Co  Co6  1  0.430  0.587  0.490  1.0
  O  O7  1  0.170  0.787  0.498  1.0
  O  O8  1  0.321  0.305  0.333  1.0
  O  O9  1  0.328  0.296  0.008  1.0
  O  O10  1  0.298  0.333  0.671  1.0
  O  O11  1  0.690  0.698  0.671  1.0
  O  O12  1  0.700  0.687  0.010  1.0
  O  O13  1  0.695  0.696  0.331  1.0
  O  O14  1  0.823  0.192  0.176  1.0
  F  F15  1  0.176  0.826  0.162  1.0
  F  F16  1  0.173  0.747  0.829  1.0
  F  F17  1  0.835  0.192  0.831  1.0
  F  F18  1  0.833  0.192  0.507  1.0
[/CIF]
.
The structure described by MgCo6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(4), one O(5), one F(2), one F(3), and one F(4) atom to form distorted MgO3F3 octahedra that share corners with two equivalent Co(2)O4F2 octahedra,  a cornercorner with one Co(1)O3F2 square pyramid,  a cornercorner with one Co(5)O4F square pyramid,  a cornercorner with one Co(6)O5 trigonal bipyramid,  an edgeedge with one Co(5)O4F square pyramid,  an edgeedge with one Co(6)O5 trigonal bipyramid, and faces with two equivalent Co(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 42-52°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(6), one O(8), one F(1), and one F(3) atom to form distorted CoO3F2 square pyramids that share  a cornercorner with one Mg(1)O3F3 octahedra,  a cornercorner with one Co(3)O3F3 octahedra, corners with two equivalent Co(5)O4F square pyramids, corners with three equivalent Co(4)O5 square pyramids, and  an edgeedge with one Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 39-83°. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(7), one O(8), one F(1), and one F(4) atom to form CoO4F2 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with three equivalent Co(4)O5 square pyramids, corners with three equivalent Co(6)O5 trigonal bipyramids,  an edgeedge with one Co(3)O3F3 octahedra, and  an edgeedge with one Co(1)O3F2 square pyramid. The corner-sharing octahedral tilt angles range from 42-52°. In the third Co site, Co(3) is bonded to one O(1), one O(4), one O(5), one F(2), one F(3), and one F(4) atom to form CoO3F3 octahedra that share  a cornercorner with one Co(1)O3F2 square pyramid, corners with three equivalent Co(5)O4F square pyramids, corners with three equivalent Co(6)O5 trigonal bipyramids,  an edgeedge with one Co(2)O4F2 octahedra, and faces with two equivalent Mg(1)O3F3 octahedra. In the fourth Co site, Co(4) is bonded to one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form distorted CoO5 square pyramids that share corners with three equivalent Co(2)O4F2 octahedra, corners with three equivalent Co(1)O3F2 square pyramids,  an edgeedge with one Co(5)O4F square pyramid, and  an edgeedge with one Co(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-50°. In the fifth Co site, Co(5) is bonded to one O(3), one O(4), one O(5), one O(6), and one F(2) atom to form distorted CoO4F square pyramids that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with three equivalent Co(3)O3F3 octahedra, corners with two equivalent Co(1)O3F2 square pyramids,  an edgeedge with one Mg(1)O3F3 octahedra,  an edgeedge with one Co(4)O5 square pyramid, and  an edgeedge with one Co(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-80°. In the sixth Co site, Co(6) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(7) atom to form distorted CoO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with three equivalent Co(3)O3F3 octahedra, corners with three equivalent Co(2)O4F2 octahedra,  an edgeedge with one Mg(1)O3F3 octahedra,  an edgeedge with one Co(5)O4F square pyramid, and  an edgeedge with one Co(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 45-75°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(2), one Co(3), and one Co(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(2), one Co(4), and one Co(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(1), one Co(4), and one Co(5) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Co(3), one Co(5), and one Co(6) atom to form a mixture of edge and corner-sharing OMgCo3 trigonal pyramids. In the fifth O site, O(5) is bonded to one Mg(1), one Co(3), one Co(5), and one Co(6) atom to form a mixture of distorted edge and corner-sharing OMgCo3 trigonal pyramids. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Co(1), one Co(4), and one Co(5) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Co(2), one Co(4), and one Co(6) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in an L-shaped geometry to one Co(1) and one Co(2) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(3), and one Co(5) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Mg(1), one Co(1), and one Co(3) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(2), and one Co(3) atom. is represented by the CIF file [CIF]
data_MgCo6(O2F)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.071
_cell_length_b   5.079
_cell_length_c   8.569
_cell_angle_alpha   87.631
_cell_angle_beta   92.435
_cell_angle_gamma   103.218
_symmetry_Int_Tables_number   1
_cell_volume   214.548
_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
  Mg  Mg0  1  0.955  0.472  0.661  1.0
  Co  Co1  1  0.974  0.034  0.029  1.0
  Co  Co2  1  0.010  0.995  0.332  1.0
  Co  Co3  1  0.035  0.988  0.667  1.0
  Co  Co4  1  0.557  0.449  0.173  1.0
  Co  Co5  1  0.485  0.524  0.843  1.0
  Co  Co6  1  0.430  0.587  0.490  1.0
  O  O7  1  0.170  0.787  0.498  1.0
  O  O8  1  0.321  0.305  0.333  1.0
  O  O9  1  0.328  0.296  0.008  1.0
  O  O10  1  0.298  0.333  0.671  1.0
  O  O11  1  0.690  0.698  0.671  1.0
  O  O12  1  0.700  0.687  0.010  1.0
  O  O13  1  0.695  0.696  0.331  1.0
  O  O14  1  0.823  0.192  0.176  1.0
  F  F15  1  0.176  0.826  0.162  1.0
  F  F16  1  0.173  0.747  0.829  1.0
  F  F17  1  0.835  0.192  0.831  1.0
  F  F18  1  0.833  0.192  0.507  1.0
[/CIF]
.