The compound described by MgCo6(O3F)3 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(4), one O(7), one O(9), one F(1), and one F(2) atom to form distorted MgO4F2 octahedra that share corners with two equivalent Co(2)O4F2 octahedra, corners with two equivalent Co(3)O4F2 octahedra,  a cornercorner with one Co(5)O4F square pyramid,  a cornercorner with one Co(4)O5 trigonal bipyramid,  an edgeedge with one Co(5)O4F square pyramid,  an edgeedge with one Co(4)O5 trigonal bipyramid, and faces with two equivalent Co(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 35-55°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(4), one O(7), one O(9), one F(1), and one F(2) atom to form CoO4F2 octahedra that share corners with three equivalent Co(5)O4F square pyramids, corners with three equivalent Co(4)O5 trigonal bipyramids,  an edgeedge with one Co(2)O4F2 octahedra,  an edgeedge with one Co(3)O4F2 octahedra, and faces with two equivalent Mg(1)O4F2 octahedra. In the second Co site, Co(2) is bonded to one O(2), one O(3), one O(8), one O(9), one F(1), and one F(3) atom to form CoO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with three equivalent Co(4)O5 trigonal bipyramids, corners with three equivalent Co(6)O5 trigonal bipyramids,  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 44-49°. In the third Co site, Co(3) is bonded to one O(1), one O(2), one O(5), one O(6), one F(2), and one F(3) atom to form distorted CoO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with three equivalent Co(5)O4F square pyramids, corners with three equivalent Co(6)O5 trigonal bipyramids,  an edgeedge with one Co(1)O4F2 octahedra, and  an edgeedge with one Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 35-55°. In the fourth Co site, Co(4) is bonded to one O(3), one O(4), one O(7), one O(8), and one O(9) atom to form distorted CoO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with three equivalent Co(1)O4F2 octahedra, corners with three equivalent Co(2)O4F2 octahedra,  an edgeedge with one Mg(1)O4F2 octahedra,  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 41-73°. In the fifth Co site, Co(5) is bonded to one O(4), one O(5), one O(6), one O(7), and one F(2) atom to form distorted CoO4F square pyramids that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with three equivalent Co(1)O4F2 octahedra, corners with three equivalent Co(3)O4F2 octahedra,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Co(4)O5 trigonal bipyramid, and  an edgeedge with one Co(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 40-85°. In the sixth Co site, Co(6) is bonded to one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form distorted CoO5 trigonal bipyramids that share corners with three equivalent Co(2)O4F2 octahedra, corners with three equivalent Co(3)O4F2 octahedra,  an edgeedge with one Co(5)O4F square pyramid, and  an edgeedge with one Co(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 45-50°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one Co(1), and one Co(3) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Co(2), one Co(3), and one Co(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(2), one Co(4), and one Co(6) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Co(1), one Co(4), and one Co(5) atom to form a mixture of corner and edge-sharing OMgCo3 trigonal pyramids. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Co(3), one Co(5), and one Co(6) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Co(3), one Co(5), and one Co(6) atom. In the seventh O site, O(7) is bonded to one Mg(1), one Co(1), one Co(4), and one Co(5) atom to form a mixture of corner and edge-sharing OMgCo3 trigonal pyramids. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Co(2), one Co(4), and one Co(6) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(2), and one Co(4) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(1), and one Co(2) atom. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(3), and one Co(5) atom. In the third F site, F(3) is bonded in an L-shaped geometry to one Co(2) and one Co(3) atom. is represented by the CIF file [CIF]
data_MgCo6(O3F)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.968
_cell_length_b   4.980
_cell_length_c   8.613
_cell_angle_alpha   89.068
_cell_angle_beta   91.672
_cell_angle_gamma   102.367
_symmetry_Int_Tables_number   1
_cell_volume   208.043
_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  0.037  0.517  0.998  1.0
  Co  Co1  1  0.987  0.002  0.996  1.0
  Co  Co2  1  0.998  0.993  0.332  1.0
  Co  Co3  1  0.022  0.980  0.658  1.0
  Co  Co4  1  0.571  0.407  0.178  1.0
  Co  Co5  1  0.511  0.489  0.823  1.0
  Co  Co6  1  0.429  0.569  0.492  1.0
  O  O7  1  0.138  0.825  0.840  1.0
  O  O8  1  0.178  0.810  0.491  1.0
  O  O9  1  0.307  0.299  0.336  1.0
  O  O10  1  0.314  0.292  0.996  1.0
  O  O11  1  0.295  0.322  0.658  1.0
  O  O12  1  0.670  0.713  0.660  1.0
  O  O13  1  0.697  0.678  0.001  1.0
  O  O14  1  0.683  0.690  0.334  1.0
  O  O15  1  0.838  0.195  0.159  1.0
  F  F16  1  0.174  0.791  0.161  1.0
  F  F17  1  0.820  0.244  0.837  1.0
  F  F18  1  0.830  0.169  0.500  1.0
[/CIF]
.
The compound described by MgCo6(O3F)3 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(4), one O(7), one O(9), one F(1), and one F(2) atom to form distorted MgO4F2 octahedra that share corners with two equivalent Co(2)O4F2 octahedra, corners with two equivalent Co(3)O4F2 octahedra,  a cornercorner with one Co(5)O4F square pyramid,  a cornercorner with one Co(4)O5 trigonal bipyramid,  an edgeedge with one Co(5)O4F square pyramid,  an edgeedge with one Co(4)O5 trigonal bipyramid, and faces with two equivalent Co(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 35-55°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(4), one O(7), one O(9), one F(1), and one F(2) atom to form CoO4F2 octahedra that share corners with three equivalent Co(5)O4F square pyramids, corners with three equivalent Co(4)O5 trigonal bipyramids,  an edgeedge with one Co(2)O4F2 octahedra,  an edgeedge with one Co(3)O4F2 octahedra, and faces with two equivalent Mg(1)O4F2 octahedra. In the second Co site, Co(2) is bonded to one O(2), one O(3), one O(8), one O(9), one F(1), and one F(3) atom to form CoO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with three equivalent Co(4)O5 trigonal bipyramids, corners with three equivalent Co(6)O5 trigonal bipyramids,  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 44-49°. In the third Co site, Co(3) is bonded to one O(1), one O(2), one O(5), one O(6), one F(2), and one F(3) atom to form distorted CoO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with three equivalent Co(5)O4F square pyramids, corners with three equivalent Co(6)O5 trigonal bipyramids,  an edgeedge with one Co(1)O4F2 octahedra, and  an edgeedge with one Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 35-55°. In the fourth Co site, Co(4) is bonded to one O(3), one O(4), one O(7), one O(8), and one O(9) atom to form distorted CoO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with three equivalent Co(1)O4F2 octahedra, corners with three equivalent Co(2)O4F2 octahedra,  an edgeedge with one Mg(1)O4F2 octahedra,  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 41-73°. In the fifth Co site, Co(5) is bonded to one O(4), one O(5), one O(6), one O(7), and one F(2) atom to form distorted CoO4F square pyramids that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with three equivalent Co(1)O4F2 octahedra, corners with three equivalent Co(3)O4F2 octahedra,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Co(4)O5 trigonal bipyramid, and  an edgeedge with one Co(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 40-85°. In the sixth Co site, Co(6) is bonded to one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form distorted CoO5 trigonal bipyramids that share corners with three equivalent Co(2)O4F2 octahedra, corners with three equivalent Co(3)O4F2 octahedra,  an edgeedge with one Co(5)O4F square pyramid, and  an edgeedge with one Co(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 45-50°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one Co(1), and one Co(3) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Co(2), one Co(3), and one Co(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(2), one Co(4), and one Co(6) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Co(1), one Co(4), and one Co(5) atom to form a mixture of corner and edge-sharing OMgCo3 trigonal pyramids. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Co(3), one Co(5), and one Co(6) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Co(3), one Co(5), and one Co(6) atom. In the seventh O site, O(7) is bonded to one Mg(1), one Co(1), one Co(4), and one Co(5) atom to form a mixture of corner and edge-sharing OMgCo3 trigonal pyramids. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Co(2), one Co(4), and one Co(6) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(2), and one Co(4) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(1), and one Co(2) atom. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(3), and one Co(5) atom. In the third F site, F(3) is bonded in an L-shaped geometry to one Co(2) and one Co(3) atom. is represented by the CIF file [CIF]
data_MgCo6(O3F)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.968
_cell_length_b   4.980
_cell_length_c   8.613
_cell_angle_alpha   89.068
_cell_angle_beta   91.672
_cell_angle_gamma   102.367
_symmetry_Int_Tables_number   1
_cell_volume   208.043
_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  0.037  0.517  0.998  1.0
  Co  Co1  1  0.987  0.002  0.996  1.0
  Co  Co2  1  0.998  0.993  0.332  1.0
  Co  Co3  1  0.022  0.980  0.658  1.0
  Co  Co4  1  0.571  0.407  0.178  1.0
  Co  Co5  1  0.511  0.489  0.823  1.0
  Co  Co6  1  0.429  0.569  0.492  1.0
  O  O7  1  0.138  0.825  0.840  1.0
  O  O8  1  0.178  0.810  0.491  1.0
  O  O9  1  0.307  0.299  0.336  1.0
  O  O10  1  0.314  0.292  0.996  1.0
  O  O11  1  0.295  0.322  0.658  1.0
  O  O12  1  0.670  0.713  0.660  1.0
  O  O13  1  0.697  0.678  0.001  1.0
  O  O14  1  0.683  0.690  0.334  1.0
  O  O15  1  0.838  0.195  0.159  1.0
  F  F16  1  0.174  0.791  0.161  1.0
  F  F17  1  0.820  0.244  0.837  1.0
  F  F18  1  0.830  0.169  0.500  1.0
[/CIF]
.