The material structure described by MgCo6(OF5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one F(10), one F(2), one F(4), one F(5), one F(6), and one F(9) atom to form MgF6 octahedra that share  a cornercorner with one Co(3)F6 octahedra,  a cornercorner with one Co(1)OF5 octahedra, corners with two equivalent Co(6)OF4 trigonal bipyramids,  an edgeedge with one Co(1)OF5 octahedra, edges with two equivalent Co(3)F6 octahedra, and edges with two equivalent Co(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 15-26°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one F(1), one F(2), one F(4), one F(8), and one F(9) atom to form CoOF5 octahedra that share  a cornercorner with one Mg(1)F6 octahedra,  a cornercorner with one Co(5)OF5 octahedra, corners with two equivalent Co(4)O2F2 tetrahedra,  an edgeedge with one Mg(1)F6 octahedra,  an edgeedge with one Co(3)F6 octahedra, edges with two equivalent Co(5)OF5 octahedra, and  an edgeedge with one Co(2)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 15-30°. In the second Co site, Co(2) is bonded to one O(1), one F(1), one F(3), one F(7), and one F(8) atom to form CoOF4 trigonal bipyramids that share  a cornercorner with one Co(3)F6 octahedra,  a cornercorner with one Co(5)OF5 octahedra, corners with three equivalent Co(4)O2F2 tetrahedra, corners with three equivalent Co(6)OF4 trigonal bipyramids, and  an edgeedge with one Co(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 15-67°. In the third Co site, Co(3) is bonded to one F(10), one F(2), one F(3), one F(5), one F(6), and one F(9) atom to form distorted CoF6 octahedra that share  a cornercorner with one Mg(1)F6 octahedra,  a cornercorner with one Co(5)OF5 octahedra,  a cornercorner with one Co(2)OF4 trigonal bipyramid,  a cornercorner with one Co(6)OF4 trigonal bipyramid,  an edgeedge with one Co(1)OF5 octahedra,  an edgeedge with one Co(5)OF5 octahedra, edges with two equivalent Mg(1)F6 octahedra, and  an edgeedge with one Co(6)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 18-26°. In the fourth Co site, Co(4) is bonded to one O(1), one O(2), one F(7), and one F(8) atom to form CoO2F2 tetrahedra that share  a cornercorner with one Co(5)OF5 octahedra, corners with two equivalent Co(1)OF5 octahedra, corners with three equivalent Co(2)OF4 trigonal bipyramids, and  an edgeedge with one Co(6)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 56-58°. In the fifth Co site, Co(5) is bonded to one O(2), one F(1), one F(2), one F(4), one F(6), and one F(9) atom to form distorted CoOF5 octahedra that share  a cornercorner with one Co(3)F6 octahedra,  a cornercorner with one Co(1)OF5 octahedra,  a cornercorner with one Co(4)O2F2 tetrahedra,  a cornercorner with one Co(2)OF4 trigonal bipyramid,  an edgeedge with one Co(3)F6 octahedra, edges with two equivalent Mg(1)F6 octahedra, and edges with two equivalent Co(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 18-30°. In the sixth Co site, Co(6) is bonded to one O(1), one F(10), one F(3), one F(5), and one F(7) atom to form distorted CoOF4 trigonal bipyramids that share  a cornercorner with one Co(3)F6 octahedra, corners with two equivalent Mg(1)F6 octahedra, corners with three equivalent Co(2)OF4 trigonal bipyramids,  an edgeedge with one Co(3)F6 octahedra, and  an edgeedge with one Co(4)O2F2 tetrahedra. The corner-sharing octahedral tilt angles range from 35-55°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one Co(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1), one Co(4), and one Co(5) atom. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a T-shaped geometry to one Co(1), one Co(2), and one Co(5) atom. In the second F site, F(2) is bonded in a trigonal pyramidal geometry to one Mg(1), one Co(1), one Co(3), and one Co(5) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Co(2), one Co(3), and one Co(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Co(1), and one Co(5) atom. In the fifth F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Co(3), and one Co(6) atom. In the sixth F site, F(6) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(3), and one Co(5) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one Co(6) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(4) atom. In the ninth F site, F(9) is bonded in a distorted see-saw-like geometry to one Mg(1), one Co(1), one Co(3), and one Co(5) atom. In the tenth F site, F(10) is bonded in a distorted water-like geometry to one Mg(1), one Co(3), and one Co(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCo6(OF5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.273
_cell_length_b   5.311
_cell_length_c   9.981
_cell_angle_alpha   87.691
_cell_angle_beta   73.907
_cell_angle_gamma   102.551
_symmetry_Int_Tables_number   1
_cell_volume   260.618
_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  0.561  0.268  0.737  1.0
  Co  Co1  1  0.990  0.002  0.991  1.0
  Co  Co2  1  0.038  0.982  0.304  1.0
  Co  Co3  1  0.017  0.962  0.664  1.0
  Co  Co4  1  0.654  0.443  0.184  1.0
  Co  Co5  1  0.473  0.718  0.934  1.0
  Co  Co6  1  0.294  0.493  0.449  1.0
  O  O7  1  0.295  0.291  0.300  1.0
  O  O8  1  0.735  0.676  0.024  1.0
  F  F9  1  0.214  0.847  0.105  1.0
  F  F10  1  0.271  0.906  0.794  1.0
  F  F11  1  0.143  0.804  0.479  1.0
  F  F12  1  0.289  0.339  0.912  1.0
  F  F13  1  0.321  0.306  0.619  1.0
  F  F14  1  0.724  0.638  0.733  1.0
  F  F15  1  0.710  0.678  0.348  1.0
  F  F16  1  0.858  0.163  0.173  1.0
  F  F17  1  0.768  0.099  0.843  1.0
  F  F18  1  0.838  0.190  0.572  1.0
[/CIF]
.
The material structure described by MgCo6(OF5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one F(10), one F(2), one F(4), one F(5), one F(6), and one F(9) atom to form MgF6 octahedra that share  a cornercorner with one Co(3)F6 octahedra,  a cornercorner with one Co(1)OF5 octahedra, corners with two equivalent Co(6)OF4 trigonal bipyramids,  an edgeedge with one Co(1)OF5 octahedra, edges with two equivalent Co(3)F6 octahedra, and edges with two equivalent Co(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 15-26°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one F(1), one F(2), one F(4), one F(8), and one F(9) atom to form CoOF5 octahedra that share  a cornercorner with one Mg(1)F6 octahedra,  a cornercorner with one Co(5)OF5 octahedra, corners with two equivalent Co(4)O2F2 tetrahedra,  an edgeedge with one Mg(1)F6 octahedra,  an edgeedge with one Co(3)F6 octahedra, edges with two equivalent Co(5)OF5 octahedra, and  an edgeedge with one Co(2)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 15-30°. In the second Co site, Co(2) is bonded to one O(1), one F(1), one F(3), one F(7), and one F(8) atom to form CoOF4 trigonal bipyramids that share  a cornercorner with one Co(3)F6 octahedra,  a cornercorner with one Co(5)OF5 octahedra, corners with three equivalent Co(4)O2F2 tetrahedra, corners with three equivalent Co(6)OF4 trigonal bipyramids, and  an edgeedge with one Co(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 15-67°. In the third Co site, Co(3) is bonded to one F(10), one F(2), one F(3), one F(5), one F(6), and one F(9) atom to form distorted CoF6 octahedra that share  a cornercorner with one Mg(1)F6 octahedra,  a cornercorner with one Co(5)OF5 octahedra,  a cornercorner with one Co(2)OF4 trigonal bipyramid,  a cornercorner with one Co(6)OF4 trigonal bipyramid,  an edgeedge with one Co(1)OF5 octahedra,  an edgeedge with one Co(5)OF5 octahedra, edges with two equivalent Mg(1)F6 octahedra, and  an edgeedge with one Co(6)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 18-26°. In the fourth Co site, Co(4) is bonded to one O(1), one O(2), one F(7), and one F(8) atom to form CoO2F2 tetrahedra that share  a cornercorner with one Co(5)OF5 octahedra, corners with two equivalent Co(1)OF5 octahedra, corners with three equivalent Co(2)OF4 trigonal bipyramids, and  an edgeedge with one Co(6)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 56-58°. In the fifth Co site, Co(5) is bonded to one O(2), one F(1), one F(2), one F(4), one F(6), and one F(9) atom to form distorted CoOF5 octahedra that share  a cornercorner with one Co(3)F6 octahedra,  a cornercorner with one Co(1)OF5 octahedra,  a cornercorner with one Co(4)O2F2 tetrahedra,  a cornercorner with one Co(2)OF4 trigonal bipyramid,  an edgeedge with one Co(3)F6 octahedra, edges with two equivalent Mg(1)F6 octahedra, and edges with two equivalent Co(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 18-30°. In the sixth Co site, Co(6) is bonded to one O(1), one F(10), one F(3), one F(5), and one F(7) atom to form distorted CoOF4 trigonal bipyramids that share  a cornercorner with one Co(3)F6 octahedra, corners with two equivalent Mg(1)F6 octahedra, corners with three equivalent Co(2)OF4 trigonal bipyramids,  an edgeedge with one Co(3)F6 octahedra, and  an edgeedge with one Co(4)O2F2 tetrahedra. The corner-sharing octahedral tilt angles range from 35-55°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one Co(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1), one Co(4), and one Co(5) atom. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a T-shaped geometry to one Co(1), one Co(2), and one Co(5) atom. In the second F site, F(2) is bonded in a trigonal pyramidal geometry to one Mg(1), one Co(1), one Co(3), and one Co(5) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Co(2), one Co(3), and one Co(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Co(1), and one Co(5) atom. In the fifth F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Co(3), and one Co(6) atom. In the sixth F site, F(6) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(3), and one Co(5) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one Co(6) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(4) atom. In the ninth F site, F(9) is bonded in a distorted see-saw-like geometry to one Mg(1), one Co(1), one Co(3), and one Co(5) atom. In the tenth F site, F(10) is bonded in a distorted water-like geometry to one Mg(1), one Co(3), and one Co(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCo6(OF5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.273
_cell_length_b   5.311
_cell_length_c   9.981
_cell_angle_alpha   87.691
_cell_angle_beta   73.907
_cell_angle_gamma   102.551
_symmetry_Int_Tables_number   1
_cell_volume   260.618
_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  0.561  0.268  0.737  1.0
  Co  Co1  1  0.990  0.002  0.991  1.0
  Co  Co2  1  0.038  0.982  0.304  1.0
  Co  Co3  1  0.017  0.962  0.664  1.0
  Co  Co4  1  0.654  0.443  0.184  1.0
  Co  Co5  1  0.473  0.718  0.934  1.0
  Co  Co6  1  0.294  0.493  0.449  1.0
  O  O7  1  0.295  0.291  0.300  1.0
  O  O8  1  0.735  0.676  0.024  1.0
  F  F9  1  0.214  0.847  0.105  1.0
  F  F10  1  0.271  0.906  0.794  1.0
  F  F11  1  0.143  0.804  0.479  1.0
  F  F12  1  0.289  0.339  0.912  1.0
  F  F13  1  0.321  0.306  0.619  1.0
  F  F14  1  0.724  0.638  0.733  1.0
  F  F15  1  0.710  0.678  0.348  1.0
  F  F16  1  0.858  0.163  0.173  1.0
  F  F17  1  0.768  0.099  0.843  1.0
  F  F18  1  0.838  0.190  0.572  1.0
[/CIF]
.