The material structure described by MgFe4(CoO6)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(11), one O(4), and one O(5) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(11), one O(3), and one O(7) atom. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(2), one O(3), and one O(6) atom. In the third Fe site, Fe(3) is bonded to one O(1), one O(11), one O(4), one O(5), one O(7), and one O(9) atom to form FeO6 octahedra that share  an edgeedge with one Fe(4)O6 octahedra and  an edgeedge with one Co(2)O6 octahedra. In the fourth Fe site, Fe(4) is bonded to one O(12), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form FeO6 octahedra that share  an edgeedge with one Fe(3)O6 octahedra and  an edgeedge with one Co(2)O6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(12), one O(2), and one O(9) atom. In the second Co site, Co(2) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form CoO6 octahedra that share  an edgeedge with one Fe(3)O6 octahedra and  an edgeedge with one Fe(4)O6 octahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(3), and one Co(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(2), one Fe(4), and one Co(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Co(2) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Mg(1), one Fe(3), and one Fe(4) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Mg(1), one Fe(3), and one Co(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Fe(2), one Fe(4), and one Co(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Co(2) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one Fe(4) and one Co(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Fe(3), one Fe(4), and one Co(1) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Co(2) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(3), and one Co(1) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Fe(2), one Fe(4), and one Co(1) atom. is represented by the CIF file [CIF]
data_MgFe4(CoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.140
_cell_length_b   5.143
_cell_length_c   8.555
_cell_angle_alpha   88.323
_cell_angle_beta   88.312
_cell_angle_gamma   75.574
_symmetry_Int_Tables_number   1
_cell_volume   218.891
_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  0.195  0.199  0.174  1.0
  Fe  Fe1  1  0.906  0.906  0.356  1.0
  Fe  Fe2  1  0.085  0.085  0.660  1.0
  Fe  Fe3  1  0.530  0.531  0.168  1.0
  Fe  Fe4  1  0.490  0.491  0.824  1.0
  Co  Co5  1  0.920  0.920  0.990  1.0
  Co  Co6  1  0.497  0.497  0.501  1.0
  O  O7  1  0.180  0.818  0.166  1.0
  O  O8  1  0.193  0.818  0.834  1.0
  O  O9  1  0.198  0.806  0.500  1.0
  O  O10  1  0.366  0.368  0.014  1.0
  O  O11  1  0.361  0.363  0.330  1.0
  O  O12  1  0.323  0.324  0.658  1.0
  O  O13  1  0.674  0.673  0.338  1.0
  O  O14  1  0.641  0.641  0.655  1.0
  O  O15  1  0.698  0.697  0.003  1.0
  O  O16  1  0.805  0.198  0.500  1.0
  O  O17  1  0.815  0.179  0.166  1.0
  O  O18  1  0.818  0.194  0.834  1.0
[/CIF]
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The material structure described by MgFe4(CoO6)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(11), one O(4), and one O(5) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(11), one O(3), and one O(7) atom. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(2), one O(3), and one O(6) atom. In the third Fe site, Fe(3) is bonded to one O(1), one O(11), one O(4), one O(5), one O(7), and one O(9) atom to form FeO6 octahedra that share  an edgeedge with one Fe(4)O6 octahedra and  an edgeedge with one Co(2)O6 octahedra. In the fourth Fe site, Fe(4) is bonded to one O(12), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form FeO6 octahedra that share  an edgeedge with one Fe(3)O6 octahedra and  an edgeedge with one Co(2)O6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(12), one O(2), and one O(9) atom. In the second Co site, Co(2) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form CoO6 octahedra that share  an edgeedge with one Fe(3)O6 octahedra and  an edgeedge with one Fe(4)O6 octahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(3), and one Co(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(2), one Fe(4), and one Co(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Co(2) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Mg(1), one Fe(3), and one Fe(4) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Mg(1), one Fe(3), and one Co(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Fe(2), one Fe(4), and one Co(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Co(2) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one Fe(4) and one Co(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Fe(3), one Fe(4), and one Co(1) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Co(2) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(3), and one Co(1) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Fe(2), one Fe(4), and one Co(1) atom. is represented by the CIF file [CIF]
data_MgFe4(CoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.140
_cell_length_b   5.143
_cell_length_c   8.555
_cell_angle_alpha   88.323
_cell_angle_beta   88.312
_cell_angle_gamma   75.574
_symmetry_Int_Tables_number   1
_cell_volume   218.891
_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  0.195  0.199  0.174  1.0
  Fe  Fe1  1  0.906  0.906  0.356  1.0
  Fe  Fe2  1  0.085  0.085  0.660  1.0
  Fe  Fe3  1  0.530  0.531  0.168  1.0
  Fe  Fe4  1  0.490  0.491  0.824  1.0
  Co  Co5  1  0.920  0.920  0.990  1.0
  Co  Co6  1  0.497  0.497  0.501  1.0
  O  O7  1  0.180  0.818  0.166  1.0
  O  O8  1  0.193  0.818  0.834  1.0
  O  O9  1  0.198  0.806  0.500  1.0
  O  O10  1  0.366  0.368  0.014  1.0
  O  O11  1  0.361  0.363  0.330  1.0
  O  O12  1  0.323  0.324  0.658  1.0
  O  O13  1  0.674  0.673  0.338  1.0
  O  O14  1  0.641  0.641  0.655  1.0
  O  O15  1  0.698  0.697  0.003  1.0
  O  O16  1  0.805  0.198  0.500  1.0
  O  O17  1  0.815  0.179  0.166  1.0
  O  O18  1  0.818  0.194  0.834  1.0
[/CIF]
.