The material structure described by MgCo6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(7), one F(2), one F(3), and one F(5) atom to form distorted MgO3F3 octahedra that share corners with two equivalent Co(3)O2F4 octahedra, corners with two equivalent Co(1)O3F3 octahedra, and faces with two equivalent Co(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 41-46°. There are six inequivalent Co sites. In the first Co site, Co(1) 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 CoO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra,  an edgeedge with one Co(3)O2F4 octahedra, and  an edgeedge with one Co(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 41-46°. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(7), one F(2), one F(3), and one F(5) atom to form CoO3F3 octahedra that share  an edgeedge with one Co(3)O2F4 octahedra,  an edgeedge with one Co(1)O3F3 octahedra, and faces with two equivalent Mg(1)O3F3 octahedra. In the third Co site, Co(3) is bonded to one O(4), one O(5), one F(1), one F(2), one F(4), and one F(5) atom to form CoO2F4 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra,  an edgeedge with one Co(1)O3F3 octahedra, and  an edgeedge with one Co(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 42-43°. In the fourth Co site, Co(4) is bonded in a square co-planar geometry to one O(2), one O(3), one O(6), and one O(7) atom. In the fifth Co site, Co(5) is bonded in a distorted square co-planar geometry to one O(3), one O(4), one O(5), and one O(6) atom. In the sixth Co site, Co(6) is bonded in a square co-planar geometry to one O(2), one O(4), one O(5), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded to one Mg(1), one Co(2), one Co(4), and one Co(6) atom to form a mixture of distorted edge and corner-sharing OMgCo3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(4), and one Co(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(5), and one Co(6) atom. In the fifth O site, O(5) is bonded in a distorted 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(1), one Co(4), and one Co(5) atom. In the seventh O site, O(7) is bonded to one Mg(1), one Co(2), one Co(4), and one Co(6) atom to form a mixture of distorted edge and corner-sharing OMgCo3 trigonal pyramids. There are five inequivalent F sites. In the first F site, F(1) is bonded in an L-shaped geometry to one Co(1) 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(3) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(1), and one Co(2) atom. In the fourth F site, F(4) is bonded in an L-shaped geometry to 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 CIF file [CIF]
data_MgCo6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.178
_cell_length_b   5.491
_cell_length_c   8.583
_cell_angle_alpha   88.765
_cell_angle_beta   91.296
_cell_angle_gamma   107.535
_symmetry_Int_Tables_number   1
_cell_volume   232.594
_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  0.496  0.005  0.324  1.0
  Co  Co1  1  0.023  0.980  0.003  1.0
  Co  Co2  1  0.999  0.005  0.329  1.0
  Co  Co3  1  0.007  0.996  0.670  1.0
  Co  Co4  1  0.496  0.507  0.159  1.0
  Co  Co5  1  0.495  0.506  0.831  1.0
  Co  Co6  1  0.502  0.503  0.504  1.0
  O  O7  1  0.166  0.876  0.179  1.0
  O  O8  1  0.328  0.296  0.332  1.0
  O  O9  1  0.315  0.315  0.999  1.0
  O  O10  1  0.311  0.314  0.664  1.0
  O  O11  1  0.691  0.689  0.664  1.0
  O  O12  1  0.687  0.689  0.999  1.0
  O  O13  1  0.668  0.717  0.330  1.0
  F  F14  1  0.185  0.835  0.841  1.0
  F  F15  1  0.185  0.859  0.479  1.0
  F  F16  1  0.814  0.153  0.179  1.0
  F  F17  1  0.846  0.137  0.848  1.0
  F  F18  1  0.813  0.145  0.480  1.0
[/CIF]
.
The material structure described by MgCo6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(7), one F(2), one F(3), and one F(5) atom to form distorted MgO3F3 octahedra that share corners with two equivalent Co(3)O2F4 octahedra, corners with two equivalent Co(1)O3F3 octahedra, and faces with two equivalent Co(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 41-46°. There are six inequivalent Co sites. In the first Co site, Co(1) 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 CoO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra,  an edgeedge with one Co(3)O2F4 octahedra, and  an edgeedge with one Co(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 41-46°. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(7), one F(2), one F(3), and one F(5) atom to form CoO3F3 octahedra that share  an edgeedge with one Co(3)O2F4 octahedra,  an edgeedge with one Co(1)O3F3 octahedra, and faces with two equivalent Mg(1)O3F3 octahedra. In the third Co site, Co(3) is bonded to one O(4), one O(5), one F(1), one F(2), one F(4), and one F(5) atom to form CoO2F4 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra,  an edgeedge with one Co(1)O3F3 octahedra, and  an edgeedge with one Co(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 42-43°. In the fourth Co site, Co(4) is bonded in a square co-planar geometry to one O(2), one O(3), one O(6), and one O(7) atom. In the fifth Co site, Co(5) is bonded in a distorted square co-planar geometry to one O(3), one O(4), one O(5), and one O(6) atom. In the sixth Co site, Co(6) is bonded in a square co-planar geometry to one O(2), one O(4), one O(5), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded to one Mg(1), one Co(2), one Co(4), and one Co(6) atom to form a mixture of distorted edge and corner-sharing OMgCo3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(4), and one Co(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(5), and one Co(6) atom. In the fifth O site, O(5) is bonded in a distorted 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(1), one Co(4), and one Co(5) atom. In the seventh O site, O(7) is bonded to one Mg(1), one Co(2), one Co(4), and one Co(6) atom to form a mixture of distorted edge and corner-sharing OMgCo3 trigonal pyramids. There are five inequivalent F sites. In the first F site, F(1) is bonded in an L-shaped geometry to one Co(1) 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(3) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(1), and one Co(2) atom. In the fourth F site, F(4) is bonded in an L-shaped geometry to 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 CIF file [CIF]
data_MgCo6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.178
_cell_length_b   5.491
_cell_length_c   8.583
_cell_angle_alpha   88.765
_cell_angle_beta   91.296
_cell_angle_gamma   107.535
_symmetry_Int_Tables_number   1
_cell_volume   232.594
_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  0.496  0.005  0.324  1.0
  Co  Co1  1  0.023  0.980  0.003  1.0
  Co  Co2  1  0.999  0.005  0.329  1.0
  Co  Co3  1  0.007  0.996  0.670  1.0
  Co  Co4  1  0.496  0.507  0.159  1.0
  Co  Co5  1  0.495  0.506  0.831  1.0
  Co  Co6  1  0.502  0.503  0.504  1.0
  O  O7  1  0.166  0.876  0.179  1.0
  O  O8  1  0.328  0.296  0.332  1.0
  O  O9  1  0.315  0.315  0.999  1.0
  O  O10  1  0.311  0.314  0.664  1.0
  O  O11  1  0.691  0.689  0.664  1.0
  O  O12  1  0.687  0.689  0.999  1.0
  O  O13  1  0.668  0.717  0.330  1.0
  F  F14  1  0.185  0.835  0.841  1.0
  F  F15  1  0.185  0.859  0.479  1.0
  F  F16  1  0.814  0.153  0.179  1.0
  F  F17  1  0.846  0.137  0.848  1.0
  F  F18  1  0.813  0.145  0.480  1.0
[/CIF]
.