The material described by MgCo6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(3), one O(8), one F(1), one F(3), and one F(4) atom to form MgO3F3 octahedra that share  a cornercorner with one Co(4)O3F3 octahedra,  a cornercorner with one Co(6)O3F3 octahedra, corners with two equivalent Co(5)O4F2 octahedra,  a cornercorner with one Co(1)O5 square pyramid, edges with two equivalent Co(3)O4F2 octahedra,  an edgeedge with one Co(1)O5 square pyramid,  a faceface with one Co(4)O3F3 octahedra, and  a faceface with one Co(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form CoO5 square pyramids that share  a cornercorner with one Mg(1)O3F3 octahedra,  a cornercorner with one Co(4)O3F3 octahedra, corners with two equivalent Co(5)O4F2 octahedra, corners with three equivalent Co(6)O3F3 octahedra,  an edgeedge with one Mg(1)O3F3 octahedra,  an edgeedge with one Co(3)O4F2 octahedra, and  an edgeedge with one Co(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 38-77°. In the second Co site, Co(2) is bonded to one O(1), one O(4), one O(5), one O(6), and one O(7) atom to form CoO5 square pyramids that share  a cornercorner with one Co(6)O3F3 octahedra, corners with two equivalent Co(4)O3F3 octahedra, corners with three equivalent Co(5)O4F2 octahedra,  an edgeedge with one Co(3)O4F2 octahedra, and  an edgeedge with one Co(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 45-54°. In the third Co site, Co(3) is bonded to one O(3), one O(5), one O(6), one O(8), one F(1), and one F(4) atom to form CoO4F2 octahedra that share corners with two equivalent Co(6)O3F3 octahedra, corners with two equivalent Co(5)O4F2 octahedra, corners with four equivalent Co(4)O3F3 octahedra, edges with two equivalent Mg(1)O3F3 octahedra,  an edgeedge with one Co(1)O5 square pyramid, and  an edgeedge with one Co(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 34-57°. In the fourth Co site, Co(4) is bonded to one O(1), one O(3), one O(6), one F(1), one F(3), and one F(4) atom to form distorted CoO3F3 octahedra that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with four equivalent Co(3)O4F2 octahedra,  a cornercorner with one Co(1)O5 square pyramid, corners with two equivalent Co(2)O5 square pyramids,  an edgeedge with one Co(6)O3F3 octahedra,  an edgeedge with one Co(5)O4F2 octahedra, and  a faceface with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 34-57°. In the fifth Co site, Co(5) is bonded to one O(1), one O(2), one O(5), one O(7), one F(2), and one F(4) atom to form CoO4F2 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with two equivalent Co(3)O4F2 octahedra, corners with two equivalent Co(1)O5 square pyramids, corners with three equivalent Co(2)O5 square pyramids,  an edgeedge with one Co(4)O3F3 octahedra, and  an edgeedge with one Co(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. In the sixth Co site, Co(6) is bonded to one O(2), one O(4), one O(8), one F(1), one F(2), and one F(3) atom to form CoO3F3 octahedra that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with two equivalent Co(3)O4F2 octahedra,  a cornercorner with one Co(2)O5 square pyramid, corners with three equivalent Co(1)O5 square pyramids,  an edgeedge with one Co(4)O3F3 octahedra,  an edgeedge with one Co(5)O4F2 octahedra, and  a faceface with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 37-48°. There are eight 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(5) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mg(1), one Co(1), one Co(5), and one Co(6) atom. In the third O site, O(3) is bonded to one Mg(1), one Co(1), one Co(3), and one Co(4) 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(1), one Co(2), and one Co(6) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Co(2), one Co(3), and one Co(5) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Co(2), one Co(3), and one Co(4) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(5) atom. In the eighth O site, O(8) is bonded to one Mg(1), one Co(1), one Co(3), and one Co(6) atom to form a mixture of corner and edge-sharing OMgCo3 trigonal pyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Mg(1), one Co(3), one Co(4), and one Co(6) atom. In the second F site, F(2) is bonded in an L-shaped geometry to one Co(5) and one Co(6) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(4), and one Co(6) atom. In the fourth F site, F(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Co(3), one Co(4), and one Co(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCo6(O2F)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.009
_cell_length_b   7.600
_cell_length_c   5.664
_cell_angle_alpha   98.664
_cell_angle_beta   100.053
_cell_angle_gamma   83.141
_symmetry_Int_Tables_number   1
_cell_volume   208.897
_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  0.013  0.828  0.345  1.0
  Co  Co1  1  0.535  0.018  0.468  1.0
  Co  Co2  1  0.550  0.349  0.794  1.0
  Co  Co3  1  0.495  0.652  0.165  1.0
  Co  Co4  1  0.968  0.639  0.698  1.0
  Co  Co5  1  0.969  0.314  0.345  1.0
  Co  Co6  1  0.004  0.014  0.985  1.0
  O  O7  1  0.803  0.425  0.622  1.0
  O  O8  1  0.839  0.082  0.293  1.0
  O  O9  1  0.691  0.763  0.466  1.0
  O  O10  1  0.699  0.113  0.778  1.0
  O  O11  1  0.693  0.425  0.120  1.0
  O  O12  1  0.310  0.553  0.864  1.0
  O  O13  1  0.321  0.241  0.531  1.0
  O  O14  1  0.311  0.892  0.196  1.0
  F  F15  1  0.820  0.765  0.997  1.0
  F  F16  1  0.169  0.239  0.058  1.0
  F  F17  1  0.154  0.879  0.697  1.0
  F  F18  1  0.169  0.578  0.362  1.0
[/CIF]
.
The material described by MgCo6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(3), one O(8), one F(1), one F(3), and one F(4) atom to form MgO3F3 octahedra that share  a cornercorner with one Co(4)O3F3 octahedra,  a cornercorner with one Co(6)O3F3 octahedra, corners with two equivalent Co(5)O4F2 octahedra,  a cornercorner with one Co(1)O5 square pyramid, edges with two equivalent Co(3)O4F2 octahedra,  an edgeedge with one Co(1)O5 square pyramid,  a faceface with one Co(4)O3F3 octahedra, and  a faceface with one Co(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form CoO5 square pyramids that share  a cornercorner with one Mg(1)O3F3 octahedra,  a cornercorner with one Co(4)O3F3 octahedra, corners with two equivalent Co(5)O4F2 octahedra, corners with three equivalent Co(6)O3F3 octahedra,  an edgeedge with one Mg(1)O3F3 octahedra,  an edgeedge with one Co(3)O4F2 octahedra, and  an edgeedge with one Co(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 38-77°. In the second Co site, Co(2) is bonded to one O(1), one O(4), one O(5), one O(6), and one O(7) atom to form CoO5 square pyramids that share  a cornercorner with one Co(6)O3F3 octahedra, corners with two equivalent Co(4)O3F3 octahedra, corners with three equivalent Co(5)O4F2 octahedra,  an edgeedge with one Co(3)O4F2 octahedra, and  an edgeedge with one Co(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 45-54°. In the third Co site, Co(3) is bonded to one O(3), one O(5), one O(6), one O(8), one F(1), and one F(4) atom to form CoO4F2 octahedra that share corners with two equivalent Co(6)O3F3 octahedra, corners with two equivalent Co(5)O4F2 octahedra, corners with four equivalent Co(4)O3F3 octahedra, edges with two equivalent Mg(1)O3F3 octahedra,  an edgeedge with one Co(1)O5 square pyramid, and  an edgeedge with one Co(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 34-57°. In the fourth Co site, Co(4) is bonded to one O(1), one O(3), one O(6), one F(1), one F(3), and one F(4) atom to form distorted CoO3F3 octahedra that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with four equivalent Co(3)O4F2 octahedra,  a cornercorner with one Co(1)O5 square pyramid, corners with two equivalent Co(2)O5 square pyramids,  an edgeedge with one Co(6)O3F3 octahedra,  an edgeedge with one Co(5)O4F2 octahedra, and  a faceface with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 34-57°. In the fifth Co site, Co(5) is bonded to one O(1), one O(2), one O(5), one O(7), one F(2), and one F(4) atom to form CoO4F2 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with two equivalent Co(3)O4F2 octahedra, corners with two equivalent Co(1)O5 square pyramids, corners with three equivalent Co(2)O5 square pyramids,  an edgeedge with one Co(4)O3F3 octahedra, and  an edgeedge with one Co(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. In the sixth Co site, Co(6) is bonded to one O(2), one O(4), one O(8), one F(1), one F(2), and one F(3) atom to form CoO3F3 octahedra that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with two equivalent Co(3)O4F2 octahedra,  a cornercorner with one Co(2)O5 square pyramid, corners with three equivalent Co(1)O5 square pyramids,  an edgeedge with one Co(4)O3F3 octahedra,  an edgeedge with one Co(5)O4F2 octahedra, and  a faceface with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 37-48°. There are eight 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(5) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mg(1), one Co(1), one Co(5), and one Co(6) atom. In the third O site, O(3) is bonded to one Mg(1), one Co(1), one Co(3), and one Co(4) 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(1), one Co(2), and one Co(6) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Co(2), one Co(3), and one Co(5) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Co(2), one Co(3), and one Co(4) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(5) atom. In the eighth O site, O(8) is bonded to one Mg(1), one Co(1), one Co(3), and one Co(6) atom to form a mixture of corner and edge-sharing OMgCo3 trigonal pyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Mg(1), one Co(3), one Co(4), and one Co(6) atom. In the second F site, F(2) is bonded in an L-shaped geometry to one Co(5) and one Co(6) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(4), and one Co(6) atom. In the fourth F site, F(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Co(3), one Co(4), and one Co(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCo6(O2F)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.009
_cell_length_b   7.600
_cell_length_c   5.664
_cell_angle_alpha   98.664
_cell_angle_beta   100.053
_cell_angle_gamma   83.141
_symmetry_Int_Tables_number   1
_cell_volume   208.897
_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  0.013  0.828  0.345  1.0
  Co  Co1  1  0.535  0.018  0.468  1.0
  Co  Co2  1  0.550  0.349  0.794  1.0
  Co  Co3  1  0.495  0.652  0.165  1.0
  Co  Co4  1  0.968  0.639  0.698  1.0
  Co  Co5  1  0.969  0.314  0.345  1.0
  Co  Co6  1  0.004  0.014  0.985  1.0
  O  O7  1  0.803  0.425  0.622  1.0
  O  O8  1  0.839  0.082  0.293  1.0
  O  O9  1  0.691  0.763  0.466  1.0
  O  O10  1  0.699  0.113  0.778  1.0
  O  O11  1  0.693  0.425  0.120  1.0
  O  O12  1  0.310  0.553  0.864  1.0
  O  O13  1  0.321  0.241  0.531  1.0
  O  O14  1  0.311  0.892  0.196  1.0
  F  F15  1  0.820  0.765  0.997  1.0
  F  F16  1  0.169  0.239  0.058  1.0
  F  F17  1  0.154  0.879  0.697  1.0
  F  F18  1  0.169  0.578  0.362  1.0
[/CIF]
.