The crystal structure described by MgCo6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(3), one O(6), one F(2), one F(3), and one F(4) atom to form MgO3F3 octahedra that share  a cornercorner with one Co(6)O2F4 octahedra,  a cornercorner with one Co(2)O3F3 octahedra, corners with two equivalent Co(3)O3F3 octahedra,  a cornercorner with one Co(1)O4F square pyramid,  a cornercorner with one Co(4)O5 trigonal bipyramid,  an edgeedge with one Co(5)O4F2 octahedra,  an edgeedge with one Co(4)O5 trigonal bipyramid,  a faceface with one Co(6)O2F4 octahedra, and  a faceface with one Co(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(5), one O(6), one O(7), and one F(1) atom to form CoO4F square pyramids that share  a cornercorner with one Mg(1)O3F3 octahedra,  a cornercorner with one Co(2)O3F3 octahedra, corners with two equivalent Co(6)O2F4 octahedra, corners with three equivalent Co(3)O3F3 octahedra,  an edgeedge with one Co(5)O4F2 octahedra, and  an edgeedge with one Co(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 36-73°. In the second Co site, Co(2) is bonded to one O(1), one O(3), one O(4), one F(1), one F(2), and one F(4) atom to form CoO3F3 octahedra that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with three equivalent Co(5)O4F2 octahedra,  a cornercorner with one Co(1)O4F square pyramid, corners with three equivalent Co(4)O5 trigonal bipyramids,  an edgeedge with one Co(6)O2F4 octahedra,  an edgeedge with one Co(3)O3F3 octahedra, and  a faceface with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. In the third Co site, Co(3) is bonded to one O(2), one O(3), one O(5), 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(5)O4F2 octahedra, corners with three equivalent Co(1)O4F square pyramids,  a cornercorner with one Co(4)O5 trigonal bipyramid,  an edgeedge with one Co(6)O2F4 octahedra, and  an edgeedge with one Co(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 42-54°. In the fourth Co site, Co(4) is bonded to one O(1), one O(3), one O(4), one O(6), and one O(7) atom to form distorted CoO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O3F3 octahedra,  a cornercorner with one Co(3)O3F3 octahedra, corners with two equivalent Co(6)O2F4 octahedra, corners with three equivalent Co(2)O3F3 octahedra,  an edgeedge with one Mg(1)O3F3 octahedra,  an edgeedge with one Co(5)O4F2 octahedra, and  an edgeedge with one Co(1)O4F square pyramid. The corner-sharing octahedral tilt angles range from 36-73°. In the fifth Co site, Co(5) is bonded to one O(1), one O(2), one O(4), one O(5), one F(2), and one F(5) atom to form distorted CoO4F2 octahedra that share corners with two equivalent Co(6)O2F4 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,  an edgeedge with one Co(1)O4F square pyramid, and  an edgeedge with one Co(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 33-54°. In the sixth Co site, Co(6) is bonded to one O(6), one O(7), one F(2), one F(3), one F(4), and one F(5) atom to form CoO2F4 octahedra that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with two equivalent Co(5)O4F2 octahedra, corners with two equivalent Co(1)O4F square pyramids, corners with two equivalent Co(4)O5 trigonal bipyramids,  an edgeedge with one Co(2)O3F3 octahedra,  an edgeedge with one Co(3)O3F3 octahedra, and  a faceface with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 33-53°. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Co(2), one Co(4), and one Co(5) atom to form distorted corner-sharing OMgCo3 trigonal pyramids. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1), one Co(3), and one Co(5) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(2), one Co(3), and one Co(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(2), one Co(4), and one Co(5) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Co(1), one Co(3), and one Co(5) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Co(1), one Co(4), and one Co(6) atom to form corner-sharing OMgCo3 trigonal pyramids. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Co(1), 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 T-shaped geometry to one Co(1), one Co(2), and one Co(3) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Mg(1), one Co(2), one Co(5), and one Co(6) atom. In the third F site, F(3) is bonded in a T-shaped geometry to one Mg(1), one Co(3), and one Co(6) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(2), and one Co(6) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Co(3), one Co(5), and one Co(6) atom. is represented by the CIF file [CIF]
data_MgCo6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.339
_cell_length_b   5.745
_cell_length_c   5.870
_cell_angle_alpha   66.430
_cell_angle_beta   61.812
_cell_angle_gamma   62.988
_symmetry_Int_Tables_number   1
_cell_volume   214.577
_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  0.149  0.338  0.878  1.0
  Co  Co1  1  0.807  0.649  0.654  1.0
  Co  Co2  1  0.348  0.697  0.655  1.0
  Co  Co3  1  0.643  0.332  0.337  1.0
  Co  Co4  1  0.214  0.366  0.353  1.0
  Co  Co5  1  0.518  0.007  0.001  1.0
  Co  Co6  1  0.976  0.978  0.008  1.0
  O  O7  1  0.335  0.372  0.980  1.0
  O  O8  1  0.666  0.013  0.642  1.0
  O  O9  1  0.355  0.427  0.479  1.0
  O  O10  1  0.343  0.999  0.353  1.0
  O  O11  1  0.654  0.643  0.013  1.0
  O  O12  1  0.004  0.311  0.695  1.0
  O  O13  1  0.002  0.680  0.318  1.0
  F  F14  1  0.638  0.565  0.552  1.0
  F  F15  1  0.277  0.939  0.896  1.0
  F  F16  1  0.939  0.239  0.205  1.0
  F  F17  1  0.048  0.737  0.788  1.0
  F  F18  1  0.691  0.099  0.099  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(3), one O(6), one F(2), one F(3), and one F(4) atom to form MgO3F3 octahedra that share  a cornercorner with one Co(6)O2F4 octahedra,  a cornercorner with one Co(2)O3F3 octahedra, corners with two equivalent Co(3)O3F3 octahedra,  a cornercorner with one Co(1)O4F square pyramid,  a cornercorner with one Co(4)O5 trigonal bipyramid,  an edgeedge with one Co(5)O4F2 octahedra,  an edgeedge with one Co(4)O5 trigonal bipyramid,  a faceface with one Co(6)O2F4 octahedra, and  a faceface with one Co(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(5), one O(6), one O(7), and one F(1) atom to form CoO4F square pyramids that share  a cornercorner with one Mg(1)O3F3 octahedra,  a cornercorner with one Co(2)O3F3 octahedra, corners with two equivalent Co(6)O2F4 octahedra, corners with three equivalent Co(3)O3F3 octahedra,  an edgeedge with one Co(5)O4F2 octahedra, and  an edgeedge with one Co(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 36-73°. In the second Co site, Co(2) is bonded to one O(1), one O(3), one O(4), one F(1), one F(2), and one F(4) atom to form CoO3F3 octahedra that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with three equivalent Co(5)O4F2 octahedra,  a cornercorner with one Co(1)O4F square pyramid, corners with three equivalent Co(4)O5 trigonal bipyramids,  an edgeedge with one Co(6)O2F4 octahedra,  an edgeedge with one Co(3)O3F3 octahedra, and  a faceface with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. In the third Co site, Co(3) is bonded to one O(2), one O(3), one O(5), 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(5)O4F2 octahedra, corners with three equivalent Co(1)O4F square pyramids,  a cornercorner with one Co(4)O5 trigonal bipyramid,  an edgeedge with one Co(6)O2F4 octahedra, and  an edgeedge with one Co(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 42-54°. In the fourth Co site, Co(4) is bonded to one O(1), one O(3), one O(4), one O(6), and one O(7) atom to form distorted CoO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O3F3 octahedra,  a cornercorner with one Co(3)O3F3 octahedra, corners with two equivalent Co(6)O2F4 octahedra, corners with three equivalent Co(2)O3F3 octahedra,  an edgeedge with one Mg(1)O3F3 octahedra,  an edgeedge with one Co(5)O4F2 octahedra, and  an edgeedge with one Co(1)O4F square pyramid. The corner-sharing octahedral tilt angles range from 36-73°. In the fifth Co site, Co(5) is bonded to one O(1), one O(2), one O(4), one O(5), one F(2), and one F(5) atom to form distorted CoO4F2 octahedra that share corners with two equivalent Co(6)O2F4 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,  an edgeedge with one Co(1)O4F square pyramid, and  an edgeedge with one Co(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 33-54°. In the sixth Co site, Co(6) is bonded to one O(6), one O(7), one F(2), one F(3), one F(4), and one F(5) atom to form CoO2F4 octahedra that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with two equivalent Co(5)O4F2 octahedra, corners with two equivalent Co(1)O4F square pyramids, corners with two equivalent Co(4)O5 trigonal bipyramids,  an edgeedge with one Co(2)O3F3 octahedra,  an edgeedge with one Co(3)O3F3 octahedra, and  a faceface with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 33-53°. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Co(2), one Co(4), and one Co(5) atom to form distorted corner-sharing OMgCo3 trigonal pyramids. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1), one Co(3), and one Co(5) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(2), one Co(3), and one Co(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(2), one Co(4), and one Co(5) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Co(1), one Co(3), and one Co(5) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Co(1), one Co(4), and one Co(6) atom to form corner-sharing OMgCo3 trigonal pyramids. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Co(1), 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 T-shaped geometry to one Co(1), one Co(2), and one Co(3) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Mg(1), one Co(2), one Co(5), and one Co(6) atom. In the third F site, F(3) is bonded in a T-shaped geometry to one Mg(1), one Co(3), and one Co(6) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(2), and one Co(6) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Co(3), one Co(5), and one Co(6) atom. is represented by the CIF file [CIF]
data_MgCo6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.339
_cell_length_b   5.745
_cell_length_c   5.870
_cell_angle_alpha   66.430
_cell_angle_beta   61.812
_cell_angle_gamma   62.988
_symmetry_Int_Tables_number   1
_cell_volume   214.577
_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  0.149  0.338  0.878  1.0
  Co  Co1  1  0.807  0.649  0.654  1.0
  Co  Co2  1  0.348  0.697  0.655  1.0
  Co  Co3  1  0.643  0.332  0.337  1.0
  Co  Co4  1  0.214  0.366  0.353  1.0
  Co  Co5  1  0.518  0.007  0.001  1.0
  Co  Co6  1  0.976  0.978  0.008  1.0
  O  O7  1  0.335  0.372  0.980  1.0
  O  O8  1  0.666  0.013  0.642  1.0
  O  O9  1  0.355  0.427  0.479  1.0
  O  O10  1  0.343  0.999  0.353  1.0
  O  O11  1  0.654  0.643  0.013  1.0
  O  O12  1  0.004  0.311  0.695  1.0
  O  O13  1  0.002  0.680  0.318  1.0
  F  F14  1  0.638  0.565  0.552  1.0
  F  F15  1  0.277  0.939  0.896  1.0
  F  F16  1  0.939  0.239  0.205  1.0
  F  F17  1  0.048  0.737  0.788  1.0
  F  F18  1  0.691  0.099  0.099  1.0
[/CIF]
.