The crystal structure described by MgCo6(OF5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one F(10), one F(2), one F(3), one F(5), one F(6), and one F(9) atom to form MgF6 octahedra that share  a cornercorner with one Co(1)OF4 trigonal bipyramid,  a cornercorner with one Co(2)OF4 trigonal bipyramid, and faces with two equivalent Co(3)F6 octahedra. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one F(1), one F(4), one F(8), and one F(9) atom to form CoOF4 trigonal bipyramids that share  a cornercorner with one Mg(1)F6 octahedra,  a cornercorner with one Co(3)F6 octahedra, corners with three equivalent Co(4)O2F3 trigonal bipyramids, and  an edgeedge with one Co(2)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 38-64°. In the second Co site, Co(2) is bonded to one O(1), one F(1), one F(3), one F(7), and one F(8) atom to form CoOF4 trigonal bipyramids that share  a cornercorner with one Mg(1)F6 octahedra,  a cornercorner with one Co(3)F6 octahedra, corners with three equivalent Co(4)O2F3 trigonal bipyramids, and  an edgeedge with one Co(1)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 38-65°. In the third Co site, Co(3) is bonded to one F(10), one F(2), one F(3), one F(5), one F(6), and one F(9) atom to form CoF6 octahedra that share  a cornercorner with one Co(1)OF4 trigonal bipyramid,  a cornercorner with one Co(2)OF4 trigonal bipyramid, and faces with two equivalent Mg(1)F6 octahedra. In the fourth Co site, Co(4) is bonded to one O(1), one O(2), one F(1), one F(4), and one F(7) atom to form distorted corner-sharing CoO2F3 trigonal bipyramids. In the fifth Co site, Co(5) is bonded in a distorted see-saw-like geometry to one O(2), one F(2), one F(4), and one F(5) atom. In the sixth Co site, Co(6) is bonded in a distorted see-saw-like geometry to one O(1), one F(10), one F(6), and one F(7) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(2), one Co(4), and one Co(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1), one Co(4), and one Co(5) atom. There are ten 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(4) 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(2), and one Co(3) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Co(1), one Co(4), and one Co(5) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(3), and one Co(5) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(3), and one Co(6) atom. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one Co(2), one Co(4), and one Co(6) atom. In the eighth F site, F(8) is bonded in an L-shaped geometry to one Co(1) and one Co(2) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(1), and one Co(3) atom. In the tenth F site, F(10) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Co(3), and one Co(6) atom. is represented by the CIF file [CIF]
data_MgCo6(OF5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.296
_cell_length_b   5.139
_cell_length_c   9.825
_cell_angle_alpha   91.669
_cell_angle_beta   93.840
_cell_angle_gamma   99.031
_symmetry_Int_Tables_number   1
_cell_volume   263.267
_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  0.501  0.992  0.669  1.0
  Co  Co1  1  0.908  0.962  0.024  1.0
  Co  Co2  1  0.091  0.042  0.319  1.0
  Co  Co3  1  0.001  0.993  0.670  1.0
  Co  Co4  1  0.453  0.555  0.173  1.0
  Co  Co5  1  0.394  0.512  0.884  1.0
  Co  Co6  1  0.623  0.474  0.452  1.0
  O  O7  1  0.350  0.349  0.327  1.0
  O  O8  1  0.643  0.661  0.017  1.0
  F  F9  1  0.189  0.812  0.160  1.0
  F  F10  1  0.240  0.800  0.785  1.0
  F  F11  1  0.214  0.915  0.521  1.0
  F  F12  1  0.204  0.266  0.004  1.0
  F  F13  1  0.319  0.290  0.710  1.0
  F  F14  1  0.685  0.695  0.629  1.0
  F  F15  1  0.787  0.740  0.335  1.0
  F  F16  1  0.837  0.171  0.188  1.0
  F  F17  1  0.787  0.073  0.817  1.0
  F  F18  1  0.763  0.185  0.553  1.0
[/CIF]
.
The crystal structure described by MgCo6(OF5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one F(10), one F(2), one F(3), one F(5), one F(6), and one F(9) atom to form MgF6 octahedra that share  a cornercorner with one Co(1)OF4 trigonal bipyramid,  a cornercorner with one Co(2)OF4 trigonal bipyramid, and faces with two equivalent Co(3)F6 octahedra. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one F(1), one F(4), one F(8), and one F(9) atom to form CoOF4 trigonal bipyramids that share  a cornercorner with one Mg(1)F6 octahedra,  a cornercorner with one Co(3)F6 octahedra, corners with three equivalent Co(4)O2F3 trigonal bipyramids, and  an edgeedge with one Co(2)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 38-64°. In the second Co site, Co(2) is bonded to one O(1), one F(1), one F(3), one F(7), and one F(8) atom to form CoOF4 trigonal bipyramids that share  a cornercorner with one Mg(1)F6 octahedra,  a cornercorner with one Co(3)F6 octahedra, corners with three equivalent Co(4)O2F3 trigonal bipyramids, and  an edgeedge with one Co(1)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 38-65°. In the third Co site, Co(3) is bonded to one F(10), one F(2), one F(3), one F(5), one F(6), and one F(9) atom to form CoF6 octahedra that share  a cornercorner with one Co(1)OF4 trigonal bipyramid,  a cornercorner with one Co(2)OF4 trigonal bipyramid, and faces with two equivalent Mg(1)F6 octahedra. In the fourth Co site, Co(4) is bonded to one O(1), one O(2), one F(1), one F(4), and one F(7) atom to form distorted corner-sharing CoO2F3 trigonal bipyramids. In the fifth Co site, Co(5) is bonded in a distorted see-saw-like geometry to one O(2), one F(2), one F(4), and one F(5) atom. In the sixth Co site, Co(6) is bonded in a distorted see-saw-like geometry to one O(1), one F(10), one F(6), and one F(7) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(2), one Co(4), and one Co(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1), one Co(4), and one Co(5) atom. There are ten 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(4) 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(2), and one Co(3) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Co(1), one Co(4), and one Co(5) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(3), and one Co(5) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(3), and one Co(6) atom. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one Co(2), one Co(4), and one Co(6) atom. In the eighth F site, F(8) is bonded in an L-shaped geometry to one Co(1) and one Co(2) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(1), and one Co(3) atom. In the tenth F site, F(10) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Co(3), and one Co(6) atom. is represented by the CIF file [CIF]
data_MgCo6(OF5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.296
_cell_length_b   5.139
_cell_length_c   9.825
_cell_angle_alpha   91.669
_cell_angle_beta   93.840
_cell_angle_gamma   99.031
_symmetry_Int_Tables_number   1
_cell_volume   263.267
_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  0.501  0.992  0.669  1.0
  Co  Co1  1  0.908  0.962  0.024  1.0
  Co  Co2  1  0.091  0.042  0.319  1.0
  Co  Co3  1  0.001  0.993  0.670  1.0
  Co  Co4  1  0.453  0.555  0.173  1.0
  Co  Co5  1  0.394  0.512  0.884  1.0
  Co  Co6  1  0.623  0.474  0.452  1.0
  O  O7  1  0.350  0.349  0.327  1.0
  O  O8  1  0.643  0.661  0.017  1.0
  F  F9  1  0.189  0.812  0.160  1.0
  F  F10  1  0.240  0.800  0.785  1.0
  F  F11  1  0.214  0.915  0.521  1.0
  F  F12  1  0.204  0.266  0.004  1.0
  F  F13  1  0.319  0.290  0.710  1.0
  F  F14  1  0.685  0.695  0.629  1.0
  F  F15  1  0.787  0.740  0.335  1.0
  F  F16  1  0.837  0.171  0.188  1.0
  F  F17  1  0.787  0.073  0.817  1.0
  F  F18  1  0.763  0.185  0.553  1.0
[/CIF]
.