The structure described by MgCo6(O3F)3 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(3), one O(5), one O(6), one F(2), and one F(3) atom to form MgO4F2 octahedra that share corners with two equivalent Co(2)O5F octahedra,  an edgeedge with one Co(4)O4F2 octahedra,  an edgeedge with one Co(5)O4F2 octahedra, and edges with two equivalent Co(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(5), one O(8), one O(9), one F(2), and one F(3) atom to form CoO4F2 octahedra that share corners with two equivalent Co(2)O5F octahedra,  an edgeedge with one Co(4)O4F2 octahedra,  an edgeedge with one Co(5)O4F2 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles are 56°. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one F(1) atom to form distorted CoO5F octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Co(1)O4F2 octahedra, corners with three equivalent Co(4)O4F2 octahedra, and corners with three equivalent Co(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. In the third Co site, Co(3) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(6), and one O(8) atom. In the fourth Co site, Co(4) is bonded to one O(3), one O(4), one O(7), one O(9), one F(1), and one F(3) atom to form CoO4F2 octahedra that share corners with three equivalent Co(2)O5F octahedra,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Co(1)O4F2 octahedra, and  an edgeedge with one Co(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. In the fifth Co site, Co(5) is bonded to one O(2), one O(6), one O(7), one O(8), one F(1), and one F(2) atom to form CoO4F2 octahedra that share corners with three equivalent Co(2)O5F octahedra,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Co(1)O4F2 octahedra, and  an edgeedge with one Co(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 42-52°. In the sixth Co site, Co(6) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Co(1), one Co(2), and one Co(3) atom to form a mixture of distorted corner and edge-sharing OMgCo3 trigonal pyramids. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(2), one Co(5), and one Co(6) 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 a mixture of corner and edge-sharing OMgCo3 trigonal pyramids. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(2), one Co(3), and one Co(4) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Co(1), one Co(2), and one Co(6) atom to form a mixture of distorted corner and edge-sharing OMgCo3 trigonal pyramids. In the sixth O site, O(6) is bonded to one Mg(1), one Co(3), one Co(5), and one Co(6) atom to form a mixture of corner and edge-sharing OMgCo3 trigonal pyramids. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Co(2), one Co(4), and one Co(5) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Co(1), one Co(3), and one Co(5) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Co(1), one Co(4), and one Co(6) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Co(2), one Co(4), and one Co(5) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(1), and one Co(5) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(1), and one Co(4) atom. is represented by the CIF card [CIF]
data_MgCo6(O3F)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.746
_cell_length_b   5.758
_cell_length_c   5.568
_cell_angle_alpha   83.051
_cell_angle_beta   76.121
_cell_angle_gamma   71.307
_symmetry_Int_Tables_number   1
_cell_volume   198.662
_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  0.833  0.164  0.667  1.0
  Co  Co1  1  0.837  0.662  0.666  1.0
  Co  Co2  1  0.338  0.672  0.654  1.0
  Co  Co3  1  0.672  0.415  0.232  1.0
  Co  Co4  1  0.182  0.329  0.326  1.0
  Co  Co5  1  0.493  0.990  0.009  1.0
  Co  Co6  1  0.003  0.906  0.097  1.0
  O  O7  1  0.645  0.528  0.577  1.0
  O  O8  1  0.296  0.862  0.924  1.0
  O  O9  1  0.960  0.193  0.288  1.0
  O  O10  1  0.380  0.463  0.397  1.0
  O  O11  1  0.029  0.802  0.746  1.0
  O  O12  1  0.714  0.125  0.045  1.0
  O  O13  1  0.367  0.001  0.319  1.0
  O  O14  1  0.685  0.672  0.009  1.0
  O  O15  1  0.986  0.655  0.327  1.0
  F  F16  1  0.325  0.326  0.960  1.0
  F  F17  1  0.619  0.010  0.651  1.0
  F  F18  1  0.039  0.314  0.707  1.0
[/CIF]
.
The structure described by MgCo6(O3F)3 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(3), one O(5), one O(6), one F(2), and one F(3) atom to form MgO4F2 octahedra that share corners with two equivalent Co(2)O5F octahedra,  an edgeedge with one Co(4)O4F2 octahedra,  an edgeedge with one Co(5)O4F2 octahedra, and edges with two equivalent Co(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(5), one O(8), one O(9), one F(2), and one F(3) atom to form CoO4F2 octahedra that share corners with two equivalent Co(2)O5F octahedra,  an edgeedge with one Co(4)O4F2 octahedra,  an edgeedge with one Co(5)O4F2 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles are 56°. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one F(1) atom to form distorted CoO5F octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Co(1)O4F2 octahedra, corners with three equivalent Co(4)O4F2 octahedra, and corners with three equivalent Co(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. In the third Co site, Co(3) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(6), and one O(8) atom. In the fourth Co site, Co(4) is bonded to one O(3), one O(4), one O(7), one O(9), one F(1), and one F(3) atom to form CoO4F2 octahedra that share corners with three equivalent Co(2)O5F octahedra,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Co(1)O4F2 octahedra, and  an edgeedge with one Co(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. In the fifth Co site, Co(5) is bonded to one O(2), one O(6), one O(7), one O(8), one F(1), and one F(2) atom to form CoO4F2 octahedra that share corners with three equivalent Co(2)O5F octahedra,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Co(1)O4F2 octahedra, and  an edgeedge with one Co(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 42-52°. In the sixth Co site, Co(6) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Co(1), one Co(2), and one Co(3) atom to form a mixture of distorted corner and edge-sharing OMgCo3 trigonal pyramids. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(2), one Co(5), and one Co(6) 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 a mixture of corner and edge-sharing OMgCo3 trigonal pyramids. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(2), one Co(3), and one Co(4) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Co(1), one Co(2), and one Co(6) atom to form a mixture of distorted corner and edge-sharing OMgCo3 trigonal pyramids. In the sixth O site, O(6) is bonded to one Mg(1), one Co(3), one Co(5), and one Co(6) atom to form a mixture of corner and edge-sharing OMgCo3 trigonal pyramids. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Co(2), one Co(4), and one Co(5) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Co(1), one Co(3), and one Co(5) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Co(1), one Co(4), and one Co(6) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Co(2), one Co(4), and one Co(5) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(1), and one Co(5) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(1), and one Co(4) atom. is represented by the CIF card [CIF]
data_MgCo6(O3F)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.746
_cell_length_b   5.758
_cell_length_c   5.568
_cell_angle_alpha   83.051
_cell_angle_beta   76.121
_cell_angle_gamma   71.307
_symmetry_Int_Tables_number   1
_cell_volume   198.662
_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  0.833  0.164  0.667  1.0
  Co  Co1  1  0.837  0.662  0.666  1.0
  Co  Co2  1  0.338  0.672  0.654  1.0
  Co  Co3  1  0.672  0.415  0.232  1.0
  Co  Co4  1  0.182  0.329  0.326  1.0
  Co  Co5  1  0.493  0.990  0.009  1.0
  Co  Co6  1  0.003  0.906  0.097  1.0
  O  O7  1  0.645  0.528  0.577  1.0
  O  O8  1  0.296  0.862  0.924  1.0
  O  O9  1  0.960  0.193  0.288  1.0
  O  O10  1  0.380  0.463  0.397  1.0
  O  O11  1  0.029  0.802  0.746  1.0
  O  O12  1  0.714  0.125  0.045  1.0
  O  O13  1  0.367  0.001  0.319  1.0
  O  O14  1  0.685  0.672  0.009  1.0
  O  O15  1  0.986  0.655  0.327  1.0
  F  F16  1  0.325  0.326  0.960  1.0
  F  F17  1  0.619  0.010  0.651  1.0
  F  F18  1  0.039  0.314  0.707  1.0
[/CIF]
.