The 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 O(7), one F(2), and one F(3) atom to form MgO4F2 octahedra that share  a cornercorner with one Co(5)O4F square pyramid, corners with two equivalent Co(1)O4F trigonal bipyramids,  an edgeedge with one Co(3)O3F3 octahedra,  an edgeedge with one Co(6)O3F3 octahedra, edges with two equivalent Co(2)O3F3 octahedra, and  an edgeedge with one Co(5)O4F square pyramid. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(4), one O(6), one O(7), and one F(5) atom to form distorted CoO4F trigonal bipyramids that share  a cornercorner with one Co(2)O3F3 octahedra, corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Co(3)O3F3 octahedra, corners with three equivalent Co(6)O3F3 octahedra, and  an edgeedge with one Co(5)O4F square pyramid. The corner-sharing octahedral tilt angles range from 41-60°. In the second Co site, Co(2) is bonded to one O(1), one O(4), one O(5), one F(1), one F(2), and one F(3) atom to form CoO3F3 octahedra that share corners with two equivalent Co(5)O4F square pyramids,  a cornercorner with one Co(1)O4F trigonal bipyramid,  an edgeedge with one Co(3)O3F3 octahedra,  an edgeedge with one Co(6)O3F3 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. In the third Co site, Co(3) is bonded to one O(2), one O(3), one O(6), one F(1), one F(3), and one F(4) atom to form CoO3F3 octahedra that share corners with three equivalent Co(5)O4F square pyramids, corners with two equivalent Co(1)O4F trigonal bipyramids,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Co(2)O3F3 octahedra, and  an edgeedge with one Co(6)O3F3 octahedra. In the fourth Co site, Co(4) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), one O(7), and one F(5) atom. In the fifth Co site, Co(5) is bonded to one O(1), one O(2), one O(5), one O(6), and one F(4) atom to form CoO4F square pyramids that share  a cornercorner with one Mg(1)O4F2 octahedra,  a cornercorner with one Co(6)O3F3 octahedra, corners with two equivalent Co(2)O3F3 octahedra, corners with three equivalent Co(3)O3F3 octahedra,  an edgeedge with one Mg(1)O4F2 octahedra, and  an edgeedge with one Co(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 40-60°. In the sixth Co site, Co(6) is bonded to one O(3), one O(4), one O(7), one F(2), one F(4), and one F(5) atom to form CoO3F3 octahedra that share  a cornercorner with one Co(5)O4F square pyramid, corners with three equivalent Co(1)O4F trigonal bipyramids,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Co(2)O3F3 octahedra, and  an edgeedge with one Co(3)O3F3 octahedra. 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 a mixture of distorted edge and corner-sharing OMgCo3 trigonal pyramids. In the second O site, O(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 O site, O(3) is bonded in a distorted trigonal planar geometry to one Co(3), 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(2), and one Co(6) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Co(2), one Co(4), and one Co(5) atom to form a mixture of edge and corner-sharing OMgCo3 trigonal pyramids. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Co(1), one Co(3), and one Co(5) atom. In the seventh O site, O(7) is bonded to one Mg(1), one Co(1), one Co(4), and one Co(6) atom to form a mixture of edge and corner-sharing OMgCo3 trigonal pyramids. There are five inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one Co(2) and one Co(3) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(2), 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(2), and one Co(3) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Co(3), one Co(5), and one Co(6) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Co(1), one Co(4), and one Co(6) atom. is represented by the CIF card [CIF]
data_MgCo6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.109
_cell_length_b   5.916
_cell_length_c   5.708
_cell_angle_alpha   64.933
_cell_angle_beta   64.442
_cell_angle_gamma   61.998
_symmetry_Int_Tables_number   1
_cell_volume   209.558
_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  0.342  0.153  0.654  1.0
  Co  Co1  1  0.882  0.695  0.694  1.0
  Co  Co2  1  0.319  0.661  0.681  1.0
  Co  Co3  1  0.676  0.351  0.345  1.0
  Co  Co4  1  0.101  0.295  0.314  1.0
  Co  Co5  1  0.522  0.010  0.038  1.0
  Co  Co6  1  0.980  0.019  0.979  1.0
  O  O7  1  0.306  0.324  0.950  1.0
  O  O8  1  0.644  0.037  0.644  1.0
  O  O9  1  0.946  0.203  0.252  1.0
  O  O10  1  0.047  0.791  0.739  1.0
  O  O11  1  0.340  0.989  0.398  1.0
  O  O12  1  0.693  0.657  0.051  1.0
  O  O13  1  0.042  0.323  0.674  1.0
  F  F14  1  0.592  0.553  0.609  1.0
  F  F15  1  0.282  0.850  0.945  1.0
  F  F16  1  0.394  0.473  0.395  1.0
  F  F17  1  0.688  0.156  0.077  1.0
  F  F18  1  0.955  0.696  0.298  1.0
[/CIF]
.
The 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 O(7), one F(2), and one F(3) atom to form MgO4F2 octahedra that share  a cornercorner with one Co(5)O4F square pyramid, corners with two equivalent Co(1)O4F trigonal bipyramids,  an edgeedge with one Co(3)O3F3 octahedra,  an edgeedge with one Co(6)O3F3 octahedra, edges with two equivalent Co(2)O3F3 octahedra, and  an edgeedge with one Co(5)O4F square pyramid. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(4), one O(6), one O(7), and one F(5) atom to form distorted CoO4F trigonal bipyramids that share  a cornercorner with one Co(2)O3F3 octahedra, corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Co(3)O3F3 octahedra, corners with three equivalent Co(6)O3F3 octahedra, and  an edgeedge with one Co(5)O4F square pyramid. The corner-sharing octahedral tilt angles range from 41-60°. In the second Co site, Co(2) is bonded to one O(1), one O(4), one O(5), one F(1), one F(2), and one F(3) atom to form CoO3F3 octahedra that share corners with two equivalent Co(5)O4F square pyramids,  a cornercorner with one Co(1)O4F trigonal bipyramid,  an edgeedge with one Co(3)O3F3 octahedra,  an edgeedge with one Co(6)O3F3 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. In the third Co site, Co(3) is bonded to one O(2), one O(3), one O(6), one F(1), one F(3), and one F(4) atom to form CoO3F3 octahedra that share corners with three equivalent Co(5)O4F square pyramids, corners with two equivalent Co(1)O4F trigonal bipyramids,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Co(2)O3F3 octahedra, and  an edgeedge with one Co(6)O3F3 octahedra. In the fourth Co site, Co(4) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), one O(7), and one F(5) atom. In the fifth Co site, Co(5) is bonded to one O(1), one O(2), one O(5), one O(6), and one F(4) atom to form CoO4F square pyramids that share  a cornercorner with one Mg(1)O4F2 octahedra,  a cornercorner with one Co(6)O3F3 octahedra, corners with two equivalent Co(2)O3F3 octahedra, corners with three equivalent Co(3)O3F3 octahedra,  an edgeedge with one Mg(1)O4F2 octahedra, and  an edgeedge with one Co(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 40-60°. In the sixth Co site, Co(6) is bonded to one O(3), one O(4), one O(7), one F(2), one F(4), and one F(5) atom to form CoO3F3 octahedra that share  a cornercorner with one Co(5)O4F square pyramid, corners with three equivalent Co(1)O4F trigonal bipyramids,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Co(2)O3F3 octahedra, and  an edgeedge with one Co(3)O3F3 octahedra. 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 a mixture of distorted edge and corner-sharing OMgCo3 trigonal pyramids. In the second O site, O(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 O site, O(3) is bonded in a distorted trigonal planar geometry to one Co(3), 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(2), and one Co(6) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Co(2), one Co(4), and one Co(5) atom to form a mixture of edge and corner-sharing OMgCo3 trigonal pyramids. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Co(1), one Co(3), and one Co(5) atom. In the seventh O site, O(7) is bonded to one Mg(1), one Co(1), one Co(4), and one Co(6) atom to form a mixture of edge and corner-sharing OMgCo3 trigonal pyramids. There are five inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one Co(2) and one Co(3) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(2), 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(2), and one Co(3) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Co(3), one Co(5), and one Co(6) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Co(1), one Co(4), and one Co(6) atom. is represented by the CIF card [CIF]
data_MgCo6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.109
_cell_length_b   5.916
_cell_length_c   5.708
_cell_angle_alpha   64.933
_cell_angle_beta   64.442
_cell_angle_gamma   61.998
_symmetry_Int_Tables_number   1
_cell_volume   209.558
_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  0.342  0.153  0.654  1.0
  Co  Co1  1  0.882  0.695  0.694  1.0
  Co  Co2  1  0.319  0.661  0.681  1.0
  Co  Co3  1  0.676  0.351  0.345  1.0
  Co  Co4  1  0.101  0.295  0.314  1.0
  Co  Co5  1  0.522  0.010  0.038  1.0
  Co  Co6  1  0.980  0.019  0.979  1.0
  O  O7  1  0.306  0.324  0.950  1.0
  O  O8  1  0.644  0.037  0.644  1.0
  O  O9  1  0.946  0.203  0.252  1.0
  O  O10  1  0.047  0.791  0.739  1.0
  O  O11  1  0.340  0.989  0.398  1.0
  O  O12  1  0.693  0.657  0.051  1.0
  O  O13  1  0.042  0.323  0.674  1.0
  F  F14  1  0.592  0.553  0.609  1.0
  F  F15  1  0.282  0.850  0.945  1.0
  F  F16  1  0.394  0.473  0.395  1.0
  F  F17  1  0.688  0.156  0.077  1.0
  F  F18  1  0.955  0.696  0.298  1.0
[/CIF]
.