The material described by MgCo6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(5), one O(6), one F(1), one F(3), and one F(5) atom to form MgO3F3 octahedra that share  a cornercorner with one Co(4)O3F3 octahedra,  a cornercorner with one Co(5)O3F3 octahedra, corners with two equivalent Co(6)O3F3 octahedra,  a cornercorner with one Co(3)O4F trigonal bipyramid, edges with two equivalent Co(2)O4F2 octahedra,  an edgeedge with one Co(3)O4F trigonal bipyramid,  a faceface with one Co(4)O3F3 octahedra, and  a faceface with one Co(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-50°. 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 F(2) atom to form distorted CoO4F trigonal bipyramids that share  a cornercorner with one Co(4)O3F3 octahedra, corners with two equivalent Co(5)O3F3 octahedra, corners with three equivalent Co(6)O3F3 octahedra,  an edgeedge with one Co(2)O4F2 octahedra, and  an edgeedge with one Co(3)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 43-55°. In the second Co site, Co(2) is bonded to one O(4), one O(5), one O(6), one O(7), one F(1), and one F(3) atom to form distorted CoO4F2 octahedra that share corners with two equivalent Co(4)O3F3 octahedra, corners with two equivalent Co(6)O3F3 octahedra, corners with four equivalent Co(5)O3F3 octahedra, edges with two equivalent Mg(1)O3F3 octahedra,  an edgeedge with one Co(1)O4F trigonal bipyramid, and  an edgeedge with one Co(3)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 36-57°. In the third Co site, Co(3) is bonded to one O(1), one O(3), 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,  a cornercorner with one Co(5)O3F3 octahedra, corners with two equivalent Co(6)O3F3 octahedra, corners with three equivalent Co(4)O3F3 octahedra,  an edgeedge with one Mg(1)O3F3 octahedra,  an edgeedge with one Co(2)O4F2 octahedra, and  an edgeedge with one Co(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 37-69°. In the fourth Co site, Co(4) is bonded to one O(1), one O(3), one O(6), one F(1), one F(4), and one F(5) atom to form distorted CoO3F3 octahedra that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with two equivalent Co(2)O4F2 octahedra,  a cornercorner with one Co(1)O4F trigonal bipyramid, corners with three equivalent Co(3)O4F trigonal bipyramids,  an edgeedge with one Co(5)O3F3 octahedra,  an edgeedge with one Co(6)O3F3 octahedra, and  a faceface with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 42-46°. In the fifth Co site, Co(5) is bonded to one O(2), one O(5), one O(7), one F(1), one F(3), and one F(5) atom to form distorted CoO3F3 octahedra that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with four equivalent Co(2)O4F2 octahedra,  a cornercorner with one Co(3)O4F trigonal bipyramid, corners with two equivalent Co(1)O4F trigonal bipyramids,  an edgeedge with one Co(4)O3F3 octahedra,  an edgeedge with one Co(6)O3F3 octahedra, and  a faceface with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 36-57°. In the sixth Co site, Co(6) is bonded to one O(1), one O(2), one O(4), one F(2), one F(3), and one F(4) atom to form CoO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with two equivalent Co(2)O4F2 octahedra, corners with two equivalent Co(3)O4F trigonal bipyramids, corners with three equivalent Co(1)O4F trigonal bipyramids,  an edgeedge with one Co(4)O3F3 octahedra, and  an edgeedge with one Co(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(3), one Co(4), and one Co(6) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(5), and one Co(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(1), 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(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(3), and one Co(5) atom to form a mixture of distorted edge and corner-sharing OMgCo3 trigonal pyramids. In the sixth O site, O(6) is bonded to one Mg(1), one Co(2), one Co(3), and one Co(4) atom to form a mixture of distorted edge and 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(2), and one Co(5) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Mg(1), one Co(2), one Co(4), and one Co(5) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Co(1), one Co(3), and one Co(6) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Mg(1), one Co(2), one Co(5), and one Co(6) atom. In the fourth F site, F(4) is bonded in an L-shaped geometry to one Co(4) and one Co(6) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(4), and one Co(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCo6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.181
_cell_length_b   7.654
_cell_length_c   5.737
_cell_angle_alpha   99.938
_cell_angle_beta   99.912
_cell_angle_gamma   83.670
_symmetry_Int_Tables_number   1
_cell_volume   220.003
_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  0.027  0.486  0.019  1.0
  Co  Co1  1  0.569  0.024  0.459  1.0
  Co  Co2  1  0.493  0.321  0.837  1.0
  Co  Co3  1  0.566  0.682  0.111  1.0
  Co  Co4  1  0.978  0.685  0.654  1.0
  Co  Co5  1  0.981  0.301  0.369  1.0
  Co  Co6  1  0.955  0.986  0.994  1.0
  O  O7  1  0.832  0.736  0.957  1.0
  O  O8  1  0.795  0.089  0.286  1.0
  O  O9  1  0.687  0.779  0.444  1.0
  O  O10  1  0.681  0.097  0.784  1.0
  O  O11  1  0.698  0.428  0.123  1.0
  O  O12  1  0.308  0.555  0.871  1.0
  O  O13  1  0.324  0.221  0.537  1.0
  F  F14  1  0.838  0.433  0.665  1.0
  F  F15  1  0.307  0.903  0.186  1.0
  F  F16  1  0.166  0.237  0.036  1.0
  F  F17  1  0.156  0.895  0.710  1.0
  F  F18  1  0.139  0.550  0.375  1.0
[/CIF]
.
The material described by MgCo6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(5), one O(6), one F(1), one F(3), and one F(5) atom to form MgO3F3 octahedra that share  a cornercorner with one Co(4)O3F3 octahedra,  a cornercorner with one Co(5)O3F3 octahedra, corners with two equivalent Co(6)O3F3 octahedra,  a cornercorner with one Co(3)O4F trigonal bipyramid, edges with two equivalent Co(2)O4F2 octahedra,  an edgeedge with one Co(3)O4F trigonal bipyramid,  a faceface with one Co(4)O3F3 octahedra, and  a faceface with one Co(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-50°. 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 F(2) atom to form distorted CoO4F trigonal bipyramids that share  a cornercorner with one Co(4)O3F3 octahedra, corners with two equivalent Co(5)O3F3 octahedra, corners with three equivalent Co(6)O3F3 octahedra,  an edgeedge with one Co(2)O4F2 octahedra, and  an edgeedge with one Co(3)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 43-55°. In the second Co site, Co(2) is bonded to one O(4), one O(5), one O(6), one O(7), one F(1), and one F(3) atom to form distorted CoO4F2 octahedra that share corners with two equivalent Co(4)O3F3 octahedra, corners with two equivalent Co(6)O3F3 octahedra, corners with four equivalent Co(5)O3F3 octahedra, edges with two equivalent Mg(1)O3F3 octahedra,  an edgeedge with one Co(1)O4F trigonal bipyramid, and  an edgeedge with one Co(3)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 36-57°. In the third Co site, Co(3) is bonded to one O(1), one O(3), 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,  a cornercorner with one Co(5)O3F3 octahedra, corners with two equivalent Co(6)O3F3 octahedra, corners with three equivalent Co(4)O3F3 octahedra,  an edgeedge with one Mg(1)O3F3 octahedra,  an edgeedge with one Co(2)O4F2 octahedra, and  an edgeedge with one Co(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 37-69°. In the fourth Co site, Co(4) is bonded to one O(1), one O(3), one O(6), one F(1), one F(4), and one F(5) atom to form distorted CoO3F3 octahedra that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with two equivalent Co(2)O4F2 octahedra,  a cornercorner with one Co(1)O4F trigonal bipyramid, corners with three equivalent Co(3)O4F trigonal bipyramids,  an edgeedge with one Co(5)O3F3 octahedra,  an edgeedge with one Co(6)O3F3 octahedra, and  a faceface with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 42-46°. In the fifth Co site, Co(5) is bonded to one O(2), one O(5), one O(7), one F(1), one F(3), and one F(5) atom to form distorted CoO3F3 octahedra that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with four equivalent Co(2)O4F2 octahedra,  a cornercorner with one Co(3)O4F trigonal bipyramid, corners with two equivalent Co(1)O4F trigonal bipyramids,  an edgeedge with one Co(4)O3F3 octahedra,  an edgeedge with one Co(6)O3F3 octahedra, and  a faceface with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 36-57°. In the sixth Co site, Co(6) is bonded to one O(1), one O(2), one O(4), one F(2), one F(3), and one F(4) atom to form CoO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with two equivalent Co(2)O4F2 octahedra, corners with two equivalent Co(3)O4F trigonal bipyramids, corners with three equivalent Co(1)O4F trigonal bipyramids,  an edgeedge with one Co(4)O3F3 octahedra, and  an edgeedge with one Co(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(3), one Co(4), and one Co(6) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(5), and one Co(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(1), 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(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(3), and one Co(5) atom to form a mixture of distorted edge and corner-sharing OMgCo3 trigonal pyramids. In the sixth O site, O(6) is bonded to one Mg(1), one Co(2), one Co(3), and one Co(4) atom to form a mixture of distorted edge and 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(2), and one Co(5) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Mg(1), one Co(2), one Co(4), and one Co(5) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Co(1), one Co(3), and one Co(6) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Mg(1), one Co(2), one Co(5), and one Co(6) atom. In the fourth F site, F(4) is bonded in an L-shaped geometry to one Co(4) and one Co(6) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(4), and one Co(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCo6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.181
_cell_length_b   7.654
_cell_length_c   5.737
_cell_angle_alpha   99.938
_cell_angle_beta   99.912
_cell_angle_gamma   83.670
_symmetry_Int_Tables_number   1
_cell_volume   220.003
_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  0.027  0.486  0.019  1.0
  Co  Co1  1  0.569  0.024  0.459  1.0
  Co  Co2  1  0.493  0.321  0.837  1.0
  Co  Co3  1  0.566  0.682  0.111  1.0
  Co  Co4  1  0.978  0.685  0.654  1.0
  Co  Co5  1  0.981  0.301  0.369  1.0
  Co  Co6  1  0.955  0.986  0.994  1.0
  O  O7  1  0.832  0.736  0.957  1.0
  O  O8  1  0.795  0.089  0.286  1.0
  O  O9  1  0.687  0.779  0.444  1.0
  O  O10  1  0.681  0.097  0.784  1.0
  O  O11  1  0.698  0.428  0.123  1.0
  O  O12  1  0.308  0.555  0.871  1.0
  O  O13  1  0.324  0.221  0.537  1.0
  F  F14  1  0.838  0.433  0.665  1.0
  F  F15  1  0.307  0.903  0.186  1.0
  F  F16  1  0.166  0.237  0.036  1.0
  F  F17  1  0.156  0.895  0.710  1.0
  F  F18  1  0.139  0.550  0.375  1.0
[/CIF]
.