The structure 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(3), and two equivalent O(5) atoms to form distorted MgO6 pentagonal pyramids that share corners with two equivalent Co(1)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Mg(1)O6 pentagonal pyramids, and  a faceface with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-58°. Fe(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form FeO6 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 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 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 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 six 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), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Fe(1) and one Co(2) atom. In the third O site, O(3) is bonded to two equivalent Mg(1), one Co(1), and two equivalent Co(2) atoms to form OMg2Co3 square pyramids that share corners with four equivalent O(5)Mg2FeCo2 trigonal bipyramids, corners with two equivalent O(6)MgCo3 trigonal pyramids, edges with two equivalent O(3)Mg2Co3 square pyramids, edges with two equivalent O(5)Mg2FeCo2 trigonal bipyramids, and edges with two equivalent O(6)MgCo3 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Fe(1) and one Co(1) atom. In the fifth O site, O(5) is bonded to two equivalent Mg(1), one Fe(1), and two equivalent Co(2) atoms to form distorted OMg2FeCo2 trigonal bipyramids that share corners with four equivalent O(3)Mg2Co3 square pyramids, edges with two equivalent O(3)Mg2Co3 square pyramids, edges with two equivalent O(5)Mg2FeCo2 trigonal bipyramids, and edges with two equivalent O(6)MgCo3 trigonal pyramids. In the sixth O site, O(6) is bonded to one Mg(1), one Co(2), and two equivalent Co(1) atoms to form OMgCo3 trigonal pyramids that share corners with two equivalent O(3)Mg2Co3 square pyramids, corners with two equivalent O(6)MgCo3 trigonal pyramids, edges with two equivalent O(3)Mg2Co3 square pyramids, and edges with two equivalent O(5)Mg2FeCo2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.355
_cell_length_b   2.930
_cell_length_c   5.410
_cell_angle_alpha   87.884
_cell_angle_beta   108.209
_cell_angle_gamma   78.272
_symmetry_Int_Tables_number   1
_cell_volume   107.807
_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  0.787  0.603  0.292  1.0
  Fe  Fe1  1  0.344  0.315  0.350  1.0
  Co  Co2  1  0.025  0.008  0.975  1.0
  Co  Co3  1  0.663  0.680  0.720  1.0
  O  O4  1  0.067  0.478  0.251  1.0
  O  O5  1  0.387  0.785  0.593  1.0
  O  O6  1  0.736  0.156  0.994  1.0
  O  O7  1  0.311  0.851  0.112  1.0
  O  O8  1  0.623  0.153  0.436  1.0
  O  O9  1  0.927  0.533  0.714  1.0
[/CIF]
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The structure 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(3), and two equivalent O(5) atoms to form distorted MgO6 pentagonal pyramids that share corners with two equivalent Co(1)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Mg(1)O6 pentagonal pyramids, and  a faceface with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-58°. Fe(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form FeO6 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 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 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 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 six 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), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Fe(1) and one Co(2) atom. In the third O site, O(3) is bonded to two equivalent Mg(1), one Co(1), and two equivalent Co(2) atoms to form OMg2Co3 square pyramids that share corners with four equivalent O(5)Mg2FeCo2 trigonal bipyramids, corners with two equivalent O(6)MgCo3 trigonal pyramids, edges with two equivalent O(3)Mg2Co3 square pyramids, edges with two equivalent O(5)Mg2FeCo2 trigonal bipyramids, and edges with two equivalent O(6)MgCo3 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Fe(1) and one Co(1) atom. In the fifth O site, O(5) is bonded to two equivalent Mg(1), one Fe(1), and two equivalent Co(2) atoms to form distorted OMg2FeCo2 trigonal bipyramids that share corners with four equivalent O(3)Mg2Co3 square pyramids, edges with two equivalent O(3)Mg2Co3 square pyramids, edges with two equivalent O(5)Mg2FeCo2 trigonal bipyramids, and edges with two equivalent O(6)MgCo3 trigonal pyramids. In the sixth O site, O(6) is bonded to one Mg(1), one Co(2), and two equivalent Co(1) atoms to form OMgCo3 trigonal pyramids that share corners with two equivalent O(3)Mg2Co3 square pyramids, corners with two equivalent O(6)MgCo3 trigonal pyramids, edges with two equivalent O(3)Mg2Co3 square pyramids, and edges with two equivalent O(5)Mg2FeCo2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.355
_cell_length_b   2.930
_cell_length_c   5.410
_cell_angle_alpha   87.884
_cell_angle_beta   108.209
_cell_angle_gamma   78.272
_symmetry_Int_Tables_number   1
_cell_volume   107.807
_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  0.787  0.603  0.292  1.0
  Fe  Fe1  1  0.344  0.315  0.350  1.0
  Co  Co2  1  0.025  0.008  0.975  1.0
  Co  Co3  1  0.663  0.680  0.720  1.0
  O  O4  1  0.067  0.478  0.251  1.0
  O  O5  1  0.387  0.785  0.593  1.0
  O  O6  1  0.736  0.156  0.994  1.0
  O  O7  1  0.311  0.851  0.112  1.0
  O  O8  1  0.623  0.153  0.436  1.0
  O  O9  1  0.927  0.533  0.714  1.0
[/CIF]
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