The crystal structure described by MgCo6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(5), one F(2), one F(4), and one F(5) atom to form distorted MgO3F3 octahedra that share corners with two equivalent Co(1)O3F3 octahedra, corners with two equivalent Co(2)O3F3 octahedra,  a cornercorner with one Co(5)O4F trigonal bipyramid,  a cornercorner with one Co(6)O4F trigonal bipyramid,  an edgeedge with one Co(5)O4F trigonal bipyramid,  an edgeedge with one Co(6)O4F trigonal bipyramid, and faces with two equivalent Co(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 34-50°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(4), one O(6), one F(1), one F(3), and one F(4) atom to form CoO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with three equivalent Co(5)O4F trigonal bipyramids,  an edgeedge with one Co(2)O3F3 octahedra, and  an edgeedge with one Co(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 36-50°. In the second Co site, Co(2) is bonded to one O(2), one O(3), one O(7), one F(1), one F(3), and one F(5) atom to form CoO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with three equivalent Co(6)O4F trigonal bipyramids,  an edgeedge with one Co(1)O3F3 octahedra, and  an edgeedge with one Co(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 34-50°. In the third Co site, Co(3) is bonded to one O(1), one O(2), one O(5), one F(2), one F(4), and one F(5) atom to form CoO3F3 octahedra that share corners with three equivalent Co(5)O4F trigonal bipyramids, corners with three equivalent Co(6)O4F trigonal bipyramids,  an edgeedge with one Co(1)O3F3 octahedra,  an edgeedge with one Co(2)O3F3 octahedra, and faces with two equivalent Mg(1)O3F3 octahedra. In the fourth Co site, Co(4) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(6), one O(7), one F(1), and one F(3) atom. In the fifth Co site, Co(5) is bonded to one O(1), one O(4), one O(5), one O(6), and one F(2) atom to form distorted CoO4F trigonal bipyramids that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with three equivalent Co(1)O3F3 octahedra, corners with three equivalent Co(3)O3F3 octahedra,  an edgeedge with one Mg(1)O3F3 octahedra, and  an edgeedge with one Co(6)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 40-80°. In the sixth Co site, Co(6) is bonded to one O(2), one O(3), one O(5), one O(7), and one F(2) atom to form distorted CoO4F trigonal bipyramids that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with three equivalent Co(2)O3F3 octahedra, corners with three equivalent Co(3)O3F3 octahedra,  an edgeedge with one Mg(1)O3F3 octahedra, and  an edgeedge with one Co(5)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 39-81°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(3), and one Co(5) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Co(2), one Co(3), and one Co(6) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one Co(6) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(4), and one Co(5) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Co(3), one Co(5), and one Co(6) atom to form OMgCo3 trigonal pyramids that share corners with two equivalent F(2)MgCo3 trigonal pyramids and  an edgeedge with one F(2)MgCo3 trigonal pyramid. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(4), and one Co(5) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one Co(6) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted L-shaped geometry to one Co(1), one Co(2), and one Co(4) atom. In the second F site, F(2) is bonded to one Mg(1), one Co(3), one Co(5), and one Co(6) atom to form distorted FMgCo3 trigonal pyramids that share corners with two equivalent O(5)MgCo3 trigonal pyramids and  an edgeedge with one O(5)MgCo3 trigonal pyramid. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(4) atom. In the fourth F site, F(4) is bonded in a T-shaped geometry to one Mg(1), one Co(1), and one Co(3) atom. In the fifth F site, F(5) is bonded in a T-shaped geometry to one Mg(1), one Co(2), and one Co(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCo6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.991
_cell_length_b   4.946
_cell_length_c   8.818
_cell_angle_alpha   89.829
_cell_angle_beta   90.239
_cell_angle_gamma   101.362
_symmetry_Int_Tables_number   1
_cell_volume   213.411
_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  0.959  0.499  0.668  1.0
  Co  Co1  1  0.014  0.974  0.998  1.0
  Co  Co2  1  0.012  0.972  0.335  1.0
  Co  Co3  1  0.050  0.014  0.671  1.0
  Co  Co4  1  0.525  0.463  0.167  1.0
  Co  Co5  1  0.434  0.543  0.853  1.0
  Co  Co6  1  0.422  0.556  0.477  1.0
  O  O7  1  0.163  0.797  0.822  1.0
  O  O8  1  0.158  0.801  0.517  1.0
  O  O9  1  0.303  0.278  0.320  1.0
  O  O10  1  0.310  0.281  0.003  1.0
  O  O11  1  0.313  0.336  0.674  1.0
  O  O12  1  0.689  0.688  0.000  1.0
  O  O13  1  0.702  0.688  0.326  1.0
  F  F14  1  0.180  0.795  0.163  1.0
  F  F15  1  0.692  0.738  0.673  1.0
  F  F16  1  0.825  0.165  0.160  1.0
  F  F17  1  0.857  0.199  0.821  1.0
  F  F18  1  0.863  0.199  0.517  1.0
[/CIF]
.
The crystal structure described by MgCo6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(5), one F(2), one F(4), and one F(5) atom to form distorted MgO3F3 octahedra that share corners with two equivalent Co(1)O3F3 octahedra, corners with two equivalent Co(2)O3F3 octahedra,  a cornercorner with one Co(5)O4F trigonal bipyramid,  a cornercorner with one Co(6)O4F trigonal bipyramid,  an edgeedge with one Co(5)O4F trigonal bipyramid,  an edgeedge with one Co(6)O4F trigonal bipyramid, and faces with two equivalent Co(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 34-50°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(4), one O(6), one F(1), one F(3), and one F(4) atom to form CoO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with three equivalent Co(5)O4F trigonal bipyramids,  an edgeedge with one Co(2)O3F3 octahedra, and  an edgeedge with one Co(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 36-50°. In the second Co site, Co(2) is bonded to one O(2), one O(3), one O(7), one F(1), one F(3), and one F(5) atom to form CoO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with three equivalent Co(6)O4F trigonal bipyramids,  an edgeedge with one Co(1)O3F3 octahedra, and  an edgeedge with one Co(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 34-50°. In the third Co site, Co(3) is bonded to one O(1), one O(2), one O(5), one F(2), one F(4), and one F(5) atom to form CoO3F3 octahedra that share corners with three equivalent Co(5)O4F trigonal bipyramids, corners with three equivalent Co(6)O4F trigonal bipyramids,  an edgeedge with one Co(1)O3F3 octahedra,  an edgeedge with one Co(2)O3F3 octahedra, and faces with two equivalent Mg(1)O3F3 octahedra. In the fourth Co site, Co(4) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(6), one O(7), one F(1), and one F(3) atom. In the fifth Co site, Co(5) is bonded to one O(1), one O(4), one O(5), one O(6), and one F(2) atom to form distorted CoO4F trigonal bipyramids that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with three equivalent Co(1)O3F3 octahedra, corners with three equivalent Co(3)O3F3 octahedra,  an edgeedge with one Mg(1)O3F3 octahedra, and  an edgeedge with one Co(6)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 40-80°. In the sixth Co site, Co(6) is bonded to one O(2), one O(3), one O(5), one O(7), and one F(2) atom to form distorted CoO4F trigonal bipyramids that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with three equivalent Co(2)O3F3 octahedra, corners with three equivalent Co(3)O3F3 octahedra,  an edgeedge with one Mg(1)O3F3 octahedra, and  an edgeedge with one Co(5)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 39-81°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(3), and one Co(5) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Co(2), one Co(3), and one Co(6) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one Co(6) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(4), and one Co(5) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Co(3), one Co(5), and one Co(6) atom to form OMgCo3 trigonal pyramids that share corners with two equivalent F(2)MgCo3 trigonal pyramids and  an edgeedge with one F(2)MgCo3 trigonal pyramid. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(4), and one Co(5) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one Co(6) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted L-shaped geometry to one Co(1), one Co(2), and one Co(4) atom. In the second F site, F(2) is bonded to one Mg(1), one Co(3), one Co(5), and one Co(6) atom to form distorted FMgCo3 trigonal pyramids that share corners with two equivalent O(5)MgCo3 trigonal pyramids and  an edgeedge with one O(5)MgCo3 trigonal pyramid. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(4) atom. In the fourth F site, F(4) is bonded in a T-shaped geometry to one Mg(1), one Co(1), and one Co(3) atom. In the fifth F site, F(5) is bonded in a T-shaped geometry to one Mg(1), one Co(2), and one Co(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCo6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.991
_cell_length_b   4.946
_cell_length_c   8.818
_cell_angle_alpha   89.829
_cell_angle_beta   90.239
_cell_angle_gamma   101.362
_symmetry_Int_Tables_number   1
_cell_volume   213.411
_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  0.959  0.499  0.668  1.0
  Co  Co1  1  0.014  0.974  0.998  1.0
  Co  Co2  1  0.012  0.972  0.335  1.0
  Co  Co3  1  0.050  0.014  0.671  1.0
  Co  Co4  1  0.525  0.463  0.167  1.0
  Co  Co5  1  0.434  0.543  0.853  1.0
  Co  Co6  1  0.422  0.556  0.477  1.0
  O  O7  1  0.163  0.797  0.822  1.0
  O  O8  1  0.158  0.801  0.517  1.0
  O  O9  1  0.303  0.278  0.320  1.0
  O  O10  1  0.310  0.281  0.003  1.0
  O  O11  1  0.313  0.336  0.674  1.0
  O  O12  1  0.689  0.688  0.000  1.0
  O  O13  1  0.702  0.688  0.326  1.0
  F  F14  1  0.180  0.795  0.163  1.0
  F  F15  1  0.692  0.738  0.673  1.0
  F  F16  1  0.825  0.165  0.160  1.0
  F  F17  1  0.857  0.199  0.821  1.0
  F  F18  1  0.863  0.199  0.517  1.0
[/CIF]
.