The material structure described by MgFe2(CoO2)4 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. In the second Co site, Co(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Fe(2), one Co(1), one Co(2), and one Co(3) atom to form distorted OFeCo3 tetrahedra that share corners with three equivalent O(4)MgFe2Co2 square pyramids, corners with three equivalent O(2)MgFeCo3 square pyramids, corners with three equivalent O(1)FeCo3 tetrahedra, corners with three equivalent O(3)MgFe2Co2 trigonal bipyramids,  an edgeedge with one O(4)MgFe2Co2 square pyramid,  an edgeedge with one O(2)MgFeCo3 square pyramid, and  an edgeedge with one O(3)MgFe2Co2 trigonal bipyramid. In the second O site, O(2) is bonded to one Mg(1), one Fe(1), one Co(1), one Co(2), and one Co(3) atom to form OMgFeCo3 square pyramids that share  a cornercorner with one O(4)MgFe2Co2 square pyramid, corners with four equivalent O(2)MgFeCo3 square pyramids, corners with three equivalent O(1)FeCo3 tetrahedra,  a cornercorner with one O(3)MgFe2Co2 trigonal bipyramid, edges with three equivalent O(4)MgFe2Co2 square pyramids,  an edgeedge with one O(1)FeCo3 tetrahedra, and edges with three equivalent O(3)MgFe2Co2 trigonal bipyramids. In the third O site, O(3) is bonded to one Mg(1), one Fe(1), one Fe(2), one Co(2), and one Co(3) atom to form OMgFe2Co2 trigonal bipyramids that share  a cornercorner with one O(4)MgFe2Co2 square pyramid,  a cornercorner with one O(2)MgFeCo3 square pyramid, corners with three equivalent O(1)FeCo3 tetrahedra, corners with four equivalent O(3)MgFe2Co2 trigonal bipyramids, edges with three equivalent O(4)MgFe2Co2 square pyramids, edges with three equivalent O(2)MgFeCo3 square pyramids, and  an edgeedge with one O(1)FeCo3 tetrahedra. In the fourth O site, O(4) is bonded to one Mg(1), one Fe(1), one Fe(2), one Co(1), and one Co(2) atom to form OMgFe2Co2 square pyramids that share  a cornercorner with one O(2)MgFeCo3 square pyramid, corners with four equivalent O(4)MgFe2Co2 square pyramids, corners with three equivalent O(1)FeCo3 tetrahedra,  a cornercorner with one O(3)MgFe2Co2 trigonal bipyramid, edges with three equivalent O(2)MgFeCo3 square pyramids,  an edgeedge with one O(1)FeCo3 tetrahedra, and edges with three equivalent O(3)MgFe2Co2 trigonal bipyramids. is represented by the CIF card [CIF]
data_MgFe2(CoO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.820
_cell_length_b   5.858
_cell_length_c   6.190
_cell_angle_alpha   62.593
_cell_angle_beta   89.342
_cell_angle_gamma   119.701
_symmetry_Int_Tables_number   1
_cell_volume   154.663
_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  0.000  0.000  0.500  1.0
  Fe  Fe1  1  0.500  0.000  0.000  1.0
  Fe  Fe2  1  0.500  0.500  0.500  1.0
  Co  Co3  1  0.500  0.000  0.500  1.0
  Co  Co4  1  0.188  0.327  0.037  1.0
  Co  Co5  1  0.812  0.673  0.963  1.0
  Co  Co6  1  0.000  0.500  0.500  1.0
  O  O7  1  0.715  0.441  0.321  1.0
  O  O8  1  0.733  0.998  0.736  1.0
  O  O9  1  0.738  0.512  0.730  1.0
  O  O10  1  0.261  0.017  0.724  1.0
  O  O11  1  0.739  0.983  0.276  1.0
  O  O12  1  0.262  0.488  0.270  1.0
  O  O13  1  0.267  0.002  0.264  1.0
  O  O14  1  0.285  0.559  0.679  1.0
[/CIF]
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The material structure described by MgFe2(CoO2)4 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. In the second Co site, Co(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Fe(2), one Co(1), one Co(2), and one Co(3) atom to form distorted OFeCo3 tetrahedra that share corners with three equivalent O(4)MgFe2Co2 square pyramids, corners with three equivalent O(2)MgFeCo3 square pyramids, corners with three equivalent O(1)FeCo3 tetrahedra, corners with three equivalent O(3)MgFe2Co2 trigonal bipyramids,  an edgeedge with one O(4)MgFe2Co2 square pyramid,  an edgeedge with one O(2)MgFeCo3 square pyramid, and  an edgeedge with one O(3)MgFe2Co2 trigonal bipyramid. In the second O site, O(2) is bonded to one Mg(1), one Fe(1), one Co(1), one Co(2), and one Co(3) atom to form OMgFeCo3 square pyramids that share  a cornercorner with one O(4)MgFe2Co2 square pyramid, corners with four equivalent O(2)MgFeCo3 square pyramids, corners with three equivalent O(1)FeCo3 tetrahedra,  a cornercorner with one O(3)MgFe2Co2 trigonal bipyramid, edges with three equivalent O(4)MgFe2Co2 square pyramids,  an edgeedge with one O(1)FeCo3 tetrahedra, and edges with three equivalent O(3)MgFe2Co2 trigonal bipyramids. In the third O site, O(3) is bonded to one Mg(1), one Fe(1), one Fe(2), one Co(2), and one Co(3) atom to form OMgFe2Co2 trigonal bipyramids that share  a cornercorner with one O(4)MgFe2Co2 square pyramid,  a cornercorner with one O(2)MgFeCo3 square pyramid, corners with three equivalent O(1)FeCo3 tetrahedra, corners with four equivalent O(3)MgFe2Co2 trigonal bipyramids, edges with three equivalent O(4)MgFe2Co2 square pyramids, edges with three equivalent O(2)MgFeCo3 square pyramids, and  an edgeedge with one O(1)FeCo3 tetrahedra. In the fourth O site, O(4) is bonded to one Mg(1), one Fe(1), one Fe(2), one Co(1), and one Co(2) atom to form OMgFe2Co2 square pyramids that share  a cornercorner with one O(2)MgFeCo3 square pyramid, corners with four equivalent O(4)MgFe2Co2 square pyramids, corners with three equivalent O(1)FeCo3 tetrahedra,  a cornercorner with one O(3)MgFe2Co2 trigonal bipyramid, edges with three equivalent O(2)MgFeCo3 square pyramids,  an edgeedge with one O(1)FeCo3 tetrahedra, and edges with three equivalent O(3)MgFe2Co2 trigonal bipyramids. is represented by the CIF card [CIF]
data_MgFe2(CoO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.820
_cell_length_b   5.858
_cell_length_c   6.190
_cell_angle_alpha   62.593
_cell_angle_beta   89.342
_cell_angle_gamma   119.701
_symmetry_Int_Tables_number   1
_cell_volume   154.663
_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  0.000  0.000  0.500  1.0
  Fe  Fe1  1  0.500  0.000  0.000  1.0
  Fe  Fe2  1  0.500  0.500  0.500  1.0
  Co  Co3  1  0.500  0.000  0.500  1.0
  Co  Co4  1  0.188  0.327  0.037  1.0
  Co  Co5  1  0.812  0.673  0.963  1.0
  Co  Co6  1  0.000  0.500  0.500  1.0
  O  O7  1  0.715  0.441  0.321  1.0
  O  O8  1  0.733  0.998  0.736  1.0
  O  O9  1  0.738  0.512  0.730  1.0
  O  O10  1  0.261  0.017  0.724  1.0
  O  O11  1  0.739  0.983  0.276  1.0
  O  O12  1  0.262  0.488  0.270  1.0
  O  O13  1  0.267  0.002  0.264  1.0
  O  O14  1  0.285  0.559  0.679  1.0
[/CIF]
.