The compound described by MgFe(CoO3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(4) atoms to form distorted MgO6 pentagonal pyramids that share corners with two equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Mg(1)O6 pentagonal pyramids, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-64°. Fe(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form distorted FeO6 octahedra that share corners with four equivalent Mg(1)O6 pentagonal pyramids, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra,  an edgeedge with one Mg(1)O6 pentagonal pyramid, and  a faceface with one Mg(1)O6 pentagonal pyramid. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(6) atoms to form distorted CoO6 octahedra that share corners with two equivalent Mg(1)O6 pentagonal pyramids, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Mg(1)O6 pentagonal pyramids. In the second Co site, Co(2) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with three equivalent Mg(1)O6 pentagonal pyramids, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Fe(1), and two equivalent Co(1) atoms to form OMgFeCo2 trigonal pyramids that share corners with two equivalent O(4)Mg2Fe2Co square pyramids, corners with two equivalent O(1)MgFeCo2 trigonal pyramids, corners with three equivalent O(6)MgCo3 trigonal pyramids, edges with two equivalent O(4)Mg2Fe2Co square pyramids, edges with two equivalent O(2)Mg2Fe2Co trigonal bipyramids, and  an edgeedge with one O(6)MgCo3 trigonal pyramid. In the second O site, O(2) is bonded to two equivalent Mg(1), two equivalent Fe(1), and one Co(2) atom to form distorted OMg2Fe2Co trigonal bipyramids that share corners with four equivalent O(4)Mg2Fe2Co square pyramids, corners with three equivalent O(6)MgCo3 trigonal pyramids, edges with two equivalent O(4)Mg2Fe2Co square pyramids, edges with two equivalent O(2)Mg2Fe2Co trigonal bipyramids, and edges with two equivalent O(1)MgFeCo2 trigonal pyramids. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Co(1) and two equivalent Co(2) atoms. In the fourth O site, O(4) is bonded to two equivalent Mg(1), two equivalent Fe(1), and one Co(1) atom to form OMg2Fe2Co square pyramids that share corners with four equivalent O(2)Mg2Fe2Co trigonal bipyramids, corners with two equivalent O(1)MgFeCo2 trigonal pyramids, edges with two equivalent O(4)Mg2Fe2Co square pyramids, edges with two equivalent O(2)Mg2Fe2Co trigonal bipyramids, edges with two equivalent O(6)MgCo3 trigonal pyramids, and edges with two equivalent O(1)MgFeCo2 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1) and two equivalent Co(2) atoms. In the sixth O site, O(6) is bonded to one Mg(1), one Co(2), and two equivalent Co(1) atoms to form distorted OMgCo3 trigonal pyramids that share corners with three equivalent O(2)Mg2Fe2Co trigonal bipyramids, corners with two equivalent O(6)MgCo3 trigonal pyramids, corners with three equivalent O(1)MgFeCo2 trigonal pyramids, edges with two equivalent O(4)Mg2Fe2Co square pyramids, and  an edgeedge with one O(1)MgFeCo2 trigonal pyramid. is represented by the CIF card [CIF]
data_MgFe(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.096
_cell_length_b   2.898
_cell_length_c   5.448
_cell_angle_alpha   89.854
_cell_angle_beta   105.677
_cell_angle_gamma   78.162
_symmetry_Int_Tables_number   1
_cell_volume   105.390
_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  0.210  0.395  0.690  1.0
  Fe  Fe1  1  0.357  0.321  0.252  1.0
  Co  Co2  1  0.968  0.017  0.044  1.0
  Co  Co3  1  0.653  0.673  0.662  1.0
  O  O4  1  0.055  0.472  0.279  1.0
  O  O5  1  0.367  0.815  0.533  1.0
  O  O6  1  0.660  0.171  0.887  1.0
  O  O7  1  0.279  0.862  0.991  1.0
  O  O8  1  0.646  0.176  0.430  1.0
  O  O9  1  0.935  0.535  0.793  1.0
[/CIF]
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The compound described by MgFe(CoO3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(4) atoms to form distorted MgO6 pentagonal pyramids that share corners with two equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Mg(1)O6 pentagonal pyramids, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-64°. Fe(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form distorted FeO6 octahedra that share corners with four equivalent Mg(1)O6 pentagonal pyramids, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra,  an edgeedge with one Mg(1)O6 pentagonal pyramid, and  a faceface with one Mg(1)O6 pentagonal pyramid. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(6) atoms to form distorted CoO6 octahedra that share corners with two equivalent Mg(1)O6 pentagonal pyramids, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Mg(1)O6 pentagonal pyramids. In the second Co site, Co(2) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with three equivalent Mg(1)O6 pentagonal pyramids, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Fe(1), and two equivalent Co(1) atoms to form OMgFeCo2 trigonal pyramids that share corners with two equivalent O(4)Mg2Fe2Co square pyramids, corners with two equivalent O(1)MgFeCo2 trigonal pyramids, corners with three equivalent O(6)MgCo3 trigonal pyramids, edges with two equivalent O(4)Mg2Fe2Co square pyramids, edges with two equivalent O(2)Mg2Fe2Co trigonal bipyramids, and  an edgeedge with one O(6)MgCo3 trigonal pyramid. In the second O site, O(2) is bonded to two equivalent Mg(1), two equivalent Fe(1), and one Co(2) atom to form distorted OMg2Fe2Co trigonal bipyramids that share corners with four equivalent O(4)Mg2Fe2Co square pyramids, corners with three equivalent O(6)MgCo3 trigonal pyramids, edges with two equivalent O(4)Mg2Fe2Co square pyramids, edges with two equivalent O(2)Mg2Fe2Co trigonal bipyramids, and edges with two equivalent O(1)MgFeCo2 trigonal pyramids. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Co(1) and two equivalent Co(2) atoms. In the fourth O site, O(4) is bonded to two equivalent Mg(1), two equivalent Fe(1), and one Co(1) atom to form OMg2Fe2Co square pyramids that share corners with four equivalent O(2)Mg2Fe2Co trigonal bipyramids, corners with two equivalent O(1)MgFeCo2 trigonal pyramids, edges with two equivalent O(4)Mg2Fe2Co square pyramids, edges with two equivalent O(2)Mg2Fe2Co trigonal bipyramids, edges with two equivalent O(6)MgCo3 trigonal pyramids, and edges with two equivalent O(1)MgFeCo2 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1) and two equivalent Co(2) atoms. In the sixth O site, O(6) is bonded to one Mg(1), one Co(2), and two equivalent Co(1) atoms to form distorted OMgCo3 trigonal pyramids that share corners with three equivalent O(2)Mg2Fe2Co trigonal bipyramids, corners with two equivalent O(6)MgCo3 trigonal pyramids, corners with three equivalent O(1)MgFeCo2 trigonal pyramids, edges with two equivalent O(4)Mg2Fe2Co square pyramids, and  an edgeedge with one O(1)MgFeCo2 trigonal pyramid. is represented by the CIF card [CIF]
data_MgFe(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.096
_cell_length_b   2.898
_cell_length_c   5.448
_cell_angle_alpha   89.854
_cell_angle_beta   105.677
_cell_angle_gamma   78.162
_symmetry_Int_Tables_number   1
_cell_volume   105.390
_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  0.210  0.395  0.690  1.0
  Fe  Fe1  1  0.357  0.321  0.252  1.0
  Co  Co2  1  0.968  0.017  0.044  1.0
  Co  Co3  1  0.653  0.673  0.662  1.0
  O  O4  1  0.055  0.472  0.279  1.0
  O  O5  1  0.367  0.815  0.533  1.0
  O  O6  1  0.660  0.171  0.887  1.0
  O  O7  1  0.279  0.862  0.991  1.0
  O  O8  1  0.646  0.176  0.430  1.0
  O  O9  1  0.935  0.535  0.793  1.0
[/CIF]
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