The material structure described by MgCo6(O5F)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one O(3), one O(8), two equivalent O(1), and two equivalent F(2) atoms to form distorted MgO4F2 octahedra that share corners with two equivalent Co(1)O6 octahedra,  a cornercorner with one Co(3)O4 tetrahedra, edges with two equivalent Mg(1)O4F2 octahedra, edges with four equivalent Co(6)O5F octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4), one O(8), two equivalent O(1), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with four equivalent Co(4)O5F octahedra, corners with four equivalent Co(6)O5F octahedra, edges with two equivalent Co(1)O6 octahedra, and  a faceface with one Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. In the second Co site, Co(2) is bonded to one O(5), one O(7), two equivalent O(10), and two equivalent F(1) atoms to form CoO4F2 octahedra that share corners with four equivalent Co(4)O5F octahedra, corners with four equivalent Co(5)O6 octahedra, and edges with two equivalent Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the third Co site, Co(3) is bonded to one O(3), one O(6), and two equivalent O(2) atoms to form CoO4 tetrahedra that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with two equivalent Co(6)O5F octahedra, corners with four equivalent Co(5)O6 octahedra, and corners with two equivalent Co(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-66°. In the fourth Co site, Co(4) is bonded to one O(9), two equivalent O(4), two equivalent O(7), and one F(1) atom to form CoO5F octahedra that share corners with four equivalent Co(2)O4F2 octahedra, corners with four equivalent Co(1)O6 octahedra, and edges with two equivalent Co(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the fifth Co site, Co(5) is bonded to one O(10), one O(2), two equivalent O(5), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with four equivalent Co(2)O4F2 octahedra, corners with four equivalent Co(3)O4 tetrahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the sixth Co site, Co(6) is bonded to one O(1), two equivalent O(3), two equivalent O(8), and one F(2) atom to form CoO5F octahedra that share corners with four equivalent Co(1)O6 octahedra, corners with two equivalent Co(3)O4 tetrahedra, edges with two equivalent Co(6)O5F octahedra, and edges with four equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Co(6), and two equivalent Co(1) atoms to form distorted OMg2Co3 trigonal bipyramids that share corners with two equivalent O(8)MgCo3 trigonal pyramids, edges with two equivalent O(1)Mg2Co3 trigonal bipyramids, and edges with two equivalent O(8)MgCo3 trigonal pyramids. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(5) and two equivalent Co(3) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(3), and two equivalent Co(6) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(1) and two equivalent Co(4) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Co(2) and two equivalent Co(5) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Co(3) and two equivalent Co(5) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Co(2) and two equivalent Co(4) atoms. In the eighth O site, O(8) is bonded to one Mg(1), one Co(1), and two equivalent Co(6) atoms to form OMgCo3 trigonal pyramids that share corners with two equivalent O(1)Mg2Co3 trigonal bipyramids, corners with two equivalent O(8)MgCo3 trigonal pyramids, and edges with two equivalent O(1)Mg2Co3 trigonal bipyramids. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Co(4) and two equivalent Co(1) atoms. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Co(5) and two equivalent Co(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Co(4) and two equivalent Co(2) atoms. In the second F site, F(2) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one Co(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCo6(O5F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.893
_cell_length_b   13.729
_cell_length_c   2.910
_cell_angle_alpha   89.991
_cell_angle_beta   90.001
_cell_angle_gamma   99.740
_symmetry_Int_Tables_number   1
_cell_volume   192.693
_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  0.879  0.822  0.991  1.0
  Co  Co1  1  0.952  0.018  0.992  1.0
  Co  Co2  1  0.024  0.344  0.991  1.0
  Co  Co3  1  0.165  0.622  0.991  1.0
  Co  Co4  1  0.516  0.164  0.491  1.0
  Co  Co5  1  0.593  0.490  0.491  1.0
  Co  Co6  1  0.395  0.854  0.491  1.0
  O  O7  1  0.069  0.933  0.492  1.0
  O  O8  1  0.343  0.578  0.491  1.0
  O  O9  1  0.222  0.769  0.991  1.0
  O  O10  1  0.311  0.100  0.992  1.0
  O  O11  1  0.389  0.424  0.991  1.0
  O  O12  1  0.790  0.559  0.991  1.0
  O  O13  1  0.689  0.236  0.991  1.0
  O  O14  1  0.603  0.918  0.991  1.0
  O  O15  1  0.815  0.080  0.492  1.0
  O  O16  1  0.859  0.404  0.491  1.0
  F  F17  1  0.176  0.265  0.491  1.0
  F  F18  1  0.694  0.751  0.491  1.0
[/CIF]
.
The material structure described by MgCo6(O5F)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one O(3), one O(8), two equivalent O(1), and two equivalent F(2) atoms to form distorted MgO4F2 octahedra that share corners with two equivalent Co(1)O6 octahedra,  a cornercorner with one Co(3)O4 tetrahedra, edges with two equivalent Mg(1)O4F2 octahedra, edges with four equivalent Co(6)O5F octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4), one O(8), two equivalent O(1), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with four equivalent Co(4)O5F octahedra, corners with four equivalent Co(6)O5F octahedra, edges with two equivalent Co(1)O6 octahedra, and  a faceface with one Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. In the second Co site, Co(2) is bonded to one O(5), one O(7), two equivalent O(10), and two equivalent F(1) atoms to form CoO4F2 octahedra that share corners with four equivalent Co(4)O5F octahedra, corners with four equivalent Co(5)O6 octahedra, and edges with two equivalent Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the third Co site, Co(3) is bonded to one O(3), one O(6), and two equivalent O(2) atoms to form CoO4 tetrahedra that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with two equivalent Co(6)O5F octahedra, corners with four equivalent Co(5)O6 octahedra, and corners with two equivalent Co(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-66°. In the fourth Co site, Co(4) is bonded to one O(9), two equivalent O(4), two equivalent O(7), and one F(1) atom to form CoO5F octahedra that share corners with four equivalent Co(2)O4F2 octahedra, corners with four equivalent Co(1)O6 octahedra, and edges with two equivalent Co(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the fifth Co site, Co(5) is bonded to one O(10), one O(2), two equivalent O(5), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with four equivalent Co(2)O4F2 octahedra, corners with four equivalent Co(3)O4 tetrahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the sixth Co site, Co(6) is bonded to one O(1), two equivalent O(3), two equivalent O(8), and one F(2) atom to form CoO5F octahedra that share corners with four equivalent Co(1)O6 octahedra, corners with two equivalent Co(3)O4 tetrahedra, edges with two equivalent Co(6)O5F octahedra, and edges with four equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Co(6), and two equivalent Co(1) atoms to form distorted OMg2Co3 trigonal bipyramids that share corners with two equivalent O(8)MgCo3 trigonal pyramids, edges with two equivalent O(1)Mg2Co3 trigonal bipyramids, and edges with two equivalent O(8)MgCo3 trigonal pyramids. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(5) and two equivalent Co(3) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(3), and two equivalent Co(6) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(1) and two equivalent Co(4) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Co(2) and two equivalent Co(5) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Co(3) and two equivalent Co(5) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Co(2) and two equivalent Co(4) atoms. In the eighth O site, O(8) is bonded to one Mg(1), one Co(1), and two equivalent Co(6) atoms to form OMgCo3 trigonal pyramids that share corners with two equivalent O(1)Mg2Co3 trigonal bipyramids, corners with two equivalent O(8)MgCo3 trigonal pyramids, and edges with two equivalent O(1)Mg2Co3 trigonal bipyramids. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Co(4) and two equivalent Co(1) atoms. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Co(5) and two equivalent Co(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Co(4) and two equivalent Co(2) atoms. In the second F site, F(2) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one Co(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCo6(O5F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.893
_cell_length_b   13.729
_cell_length_c   2.910
_cell_angle_alpha   89.991
_cell_angle_beta   90.001
_cell_angle_gamma   99.740
_symmetry_Int_Tables_number   1
_cell_volume   192.693
_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  0.879  0.822  0.991  1.0
  Co  Co1  1  0.952  0.018  0.992  1.0
  Co  Co2  1  0.024  0.344  0.991  1.0
  Co  Co3  1  0.165  0.622  0.991  1.0
  Co  Co4  1  0.516  0.164  0.491  1.0
  Co  Co5  1  0.593  0.490  0.491  1.0
  Co  Co6  1  0.395  0.854  0.491  1.0
  O  O7  1  0.069  0.933  0.492  1.0
  O  O8  1  0.343  0.578  0.491  1.0
  O  O9  1  0.222  0.769  0.991  1.0
  O  O10  1  0.311  0.100  0.992  1.0
  O  O11  1  0.389  0.424  0.991  1.0
  O  O12  1  0.790  0.559  0.991  1.0
  O  O13  1  0.689  0.236  0.991  1.0
  O  O14  1  0.603  0.918  0.991  1.0
  O  O15  1  0.815  0.080  0.492  1.0
  O  O16  1  0.859  0.404  0.491  1.0
  F  F17  1  0.176  0.265  0.491  1.0
  F  F18  1  0.694  0.751  0.491  1.0
[/CIF]
.