The crystal structure described by MgCo6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(3), one O(4), one O(8), one F(2), and one F(3) atom to form MgO4F2 octahedra that share corners with two equivalent Co(1)O4F2 octahedra, corners with two equivalent Co(3)O4F2 octahedra, corners with two equivalent Co(5)O4F2 octahedra, and edges with two equivalent Co(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(6), one O(7), one O(8), one F(1), and one F(3) atom to form CoO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Co(4)O4F2 octahedra, corners with three equivalent Co(3)O4F2 octahedra, and  an edgeedge with one Co(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 41-57°. In the second Co site, Co(2) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), one F(1), and one F(3) atom. In the third Co site, Co(3) is bonded to one O(2), one O(3), one O(4), one O(6), one F(1), and one F(4) atom to form CoO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Co(4)O4F2 octahedra, corners with three equivalent Co(1)O4F2 octahedra, and corners with three equivalent Co(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 41-56°. In the fourth Co site, Co(4) is bonded to one O(3), one O(4), one O(5), one O(7), one F(2), and one F(3) atom to form CoO4F2 octahedra that share corners with two equivalent Co(1)O4F2 octahedra, corners with two equivalent Co(3)O4F2 octahedra, corners with two equivalent Co(5)O4F2 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-59°. In the fifth Co site, Co(5) is bonded to one O(1), one O(2), one O(5), one O(6), one F(2), and one F(4) atom to form CoO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Co(4)O4F2 octahedra, corners with three equivalent Co(3)O4F2 octahedra, and  an edgeedge with one Co(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. In the sixth Co site, Co(6) is bonded in a 5-coordinate geometry to one O(3), one O(7), one O(8), one F(2), and one F(4) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(2), and one Co(5) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1), one Co(3), and one Co(5) atom. In the third O site, O(3) is bonded to one Mg(1), one Co(3), one Co(4), and one Co(6) atom to form distorted OMgCo3 tetrahedra that share  a cornercorner with one O(4)MgCo3 tetrahedra, corners with two equivalent F(3)MgCo3 trigonal pyramids, corners with three equivalent F(2)MgCo3 trigonal pyramids, and  an edgeedge with one O(4)MgCo3 tetrahedra. In the fourth O site, O(4) is bonded to one Mg(1), one Co(2), one Co(3), and one Co(4) atom to form distorted OMgCo3 tetrahedra that share  a cornercorner with one O(3)MgCo3 tetrahedra, corners with two equivalent F(2)MgCo3 trigonal pyramids, corners with three equivalent F(3)MgCo3 trigonal pyramids, and  an edgeedge with one O(3)MgCo3 tetrahedra. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one Co(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one Co(5) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(4), and one Co(6) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(1), and one Co(6) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(3) atom. In the second F site, F(2) is bonded to one Mg(1), one Co(4), one Co(5), and one Co(6) atom to form distorted FMgCo3 trigonal pyramids that share corners with two equivalent O(4)MgCo3 tetrahedra, corners with three equivalent O(3)MgCo3 tetrahedra, and  an edgeedge with one F(3)MgCo3 trigonal pyramid. In the third F site, F(3) is bonded to one Mg(1), one Co(1), one Co(2), and one Co(4) atom to form distorted FMgCo3 trigonal pyramids that share corners with two equivalent O(3)MgCo3 tetrahedra, corners with three equivalent O(4)MgCo3 tetrahedra, and  an edgeedge with one F(2)MgCo3 trigonal pyramid. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Co(3), one Co(5), and one Co(6) atom. is represented by the CIF card [CIF]
data_MgCo6(O2F)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.015
_cell_length_b   5.891
_cell_length_c   5.749
_cell_angle_alpha   64.760
_cell_angle_beta   73.851
_cell_angle_gamma   74.731
_symmetry_Int_Tables_number   1
_cell_volume   203.541
_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  0.162  0.576  0.097  1.0
  Co  Co1  1  0.820  0.690  0.664  1.0
  Co  Co2  1  0.340  0.601  0.560  1.0
  Co  Co3  1  0.666  0.347  0.318  1.0
  Co  Co4  1  0.170  0.136  0.526  1.0
  Co  Co5  1  0.511  0.021  0.966  1.0
  Co  Co6  1  0.994  0.096  0.075  1.0
  O  O7  1  0.339  0.371  0.884  1.0
  O  O8  1  0.662  0.059  0.630  1.0
  O  O9  1  0.970  0.297  0.269  1.0
  O  O10  1  0.363  0.400  0.364  1.0
  O  O11  1  0.333  0.940  0.331  1.0
  O  O12  1  0.675  0.637  0.001  1.0
  O  O13  1  0.004  0.314  0.735  1.0
  O  O14  1  0.990  0.774  0.323  1.0
  F  F15  1  0.640  0.579  0.516  1.0
  F  F16  1  0.297  0.902  0.879  1.0
  F  F17  1  0.037  0.794  0.768  1.0
  F  F18  1  0.693  0.127  0.106  1.0
[/CIF]
.
The crystal structure described by MgCo6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(3), one O(4), one O(8), one F(2), and one F(3) atom to form MgO4F2 octahedra that share corners with two equivalent Co(1)O4F2 octahedra, corners with two equivalent Co(3)O4F2 octahedra, corners with two equivalent Co(5)O4F2 octahedra, and edges with two equivalent Co(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(6), one O(7), one O(8), one F(1), and one F(3) atom to form CoO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Co(4)O4F2 octahedra, corners with three equivalent Co(3)O4F2 octahedra, and  an edgeedge with one Co(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 41-57°. In the second Co site, Co(2) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), one F(1), and one F(3) atom. In the third Co site, Co(3) is bonded to one O(2), one O(3), one O(4), one O(6), one F(1), and one F(4) atom to form CoO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Co(4)O4F2 octahedra, corners with three equivalent Co(1)O4F2 octahedra, and corners with three equivalent Co(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 41-56°. In the fourth Co site, Co(4) is bonded to one O(3), one O(4), one O(5), one O(7), one F(2), and one F(3) atom to form CoO4F2 octahedra that share corners with two equivalent Co(1)O4F2 octahedra, corners with two equivalent Co(3)O4F2 octahedra, corners with two equivalent Co(5)O4F2 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-59°. In the fifth Co site, Co(5) is bonded to one O(1), one O(2), one O(5), one O(6), one F(2), and one F(4) atom to form CoO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Co(4)O4F2 octahedra, corners with three equivalent Co(3)O4F2 octahedra, and  an edgeedge with one Co(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. In the sixth Co site, Co(6) is bonded in a 5-coordinate geometry to one O(3), one O(7), one O(8), one F(2), and one F(4) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(2), and one Co(5) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1), one Co(3), and one Co(5) atom. In the third O site, O(3) is bonded to one Mg(1), one Co(3), one Co(4), and one Co(6) atom to form distorted OMgCo3 tetrahedra that share  a cornercorner with one O(4)MgCo3 tetrahedra, corners with two equivalent F(3)MgCo3 trigonal pyramids, corners with three equivalent F(2)MgCo3 trigonal pyramids, and  an edgeedge with one O(4)MgCo3 tetrahedra. In the fourth O site, O(4) is bonded to one Mg(1), one Co(2), one Co(3), and one Co(4) atom to form distorted OMgCo3 tetrahedra that share  a cornercorner with one O(3)MgCo3 tetrahedra, corners with two equivalent F(2)MgCo3 trigonal pyramids, corners with three equivalent F(3)MgCo3 trigonal pyramids, and  an edgeedge with one O(3)MgCo3 tetrahedra. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one Co(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one Co(5) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(4), and one Co(6) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(1), and one Co(6) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(3) atom. In the second F site, F(2) is bonded to one Mg(1), one Co(4), one Co(5), and one Co(6) atom to form distorted FMgCo3 trigonal pyramids that share corners with two equivalent O(4)MgCo3 tetrahedra, corners with three equivalent O(3)MgCo3 tetrahedra, and  an edgeedge with one F(3)MgCo3 trigonal pyramid. In the third F site, F(3) is bonded to one Mg(1), one Co(1), one Co(2), and one Co(4) atom to form distorted FMgCo3 trigonal pyramids that share corners with two equivalent O(3)MgCo3 tetrahedra, corners with three equivalent O(4)MgCo3 tetrahedra, and  an edgeedge with one F(2)MgCo3 trigonal pyramid. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Co(3), one Co(5), and one Co(6) atom. is represented by the CIF card [CIF]
data_MgCo6(O2F)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.015
_cell_length_b   5.891
_cell_length_c   5.749
_cell_angle_alpha   64.760
_cell_angle_beta   73.851
_cell_angle_gamma   74.731
_symmetry_Int_Tables_number   1
_cell_volume   203.541
_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  0.162  0.576  0.097  1.0
  Co  Co1  1  0.820  0.690  0.664  1.0
  Co  Co2  1  0.340  0.601  0.560  1.0
  Co  Co3  1  0.666  0.347  0.318  1.0
  Co  Co4  1  0.170  0.136  0.526  1.0
  Co  Co5  1  0.511  0.021  0.966  1.0
  Co  Co6  1  0.994  0.096  0.075  1.0
  O  O7  1  0.339  0.371  0.884  1.0
  O  O8  1  0.662  0.059  0.630  1.0
  O  O9  1  0.970  0.297  0.269  1.0
  O  O10  1  0.363  0.400  0.364  1.0
  O  O11  1  0.333  0.940  0.331  1.0
  O  O12  1  0.675  0.637  0.001  1.0
  O  O13  1  0.004  0.314  0.735  1.0
  O  O14  1  0.990  0.774  0.323  1.0
  F  F15  1  0.640  0.579  0.516  1.0
  F  F16  1  0.297  0.902  0.879  1.0
  F  F17  1  0.037  0.794  0.768  1.0
  F  F18  1  0.693  0.127  0.106  1.0
[/CIF]
.