The crystal structure described by MgFe4(CoO4)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the second Fe site, Fe(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the third Fe site, Fe(3) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form FeO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. Co(1) 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(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Fe(1), one Fe(2), one Fe(3), and one Co(1) atom to form distorted OMgFe3Co square pyramids that share corners with five equivalent O(1)MgFe3Co square pyramids, corners with three equivalent O(3)Fe2Co2 tetrahedra,  a cornercorner with one O(2)MgFe2Co2 trigonal bipyramid, edges with three equivalent O(1)MgFe3Co square pyramids,  an edgeedge with one O(3)Fe2Co2 tetrahedra, and edges with three equivalent O(2)MgFe2Co2 trigonal bipyramids. In the second O site, O(2) is bonded to one Mg(1), one Fe(1), one Fe(2), and two equivalent Co(1) atoms to form OMgFe2Co2 trigonal bipyramids that share corners with two equivalent O(1)MgFe3Co square pyramids, corners with three equivalent O(3)Fe2Co2 tetrahedra, corners with four equivalent O(2)MgFe2Co2 trigonal bipyramids, edges with six equivalent O(1)MgFe3Co square pyramids, and  an edgeedge with one O(3)Fe2Co2 tetrahedra. In the third O site, O(3) is bonded to one Fe(1), one Fe(3), and two equivalent Co(1) atoms to form OFe2Co2 tetrahedra that share corners with six equivalent O(1)MgFe3Co square pyramids, corners with three equivalent O(3)Fe2Co2 tetrahedra, corners with three equivalent O(2)MgFe2Co2 trigonal bipyramids, edges with two equivalent O(1)MgFe3Co square pyramids, and  an edgeedge with one O(2)MgFe2Co2 trigonal bipyramid. is represented by the CIF card [CIF]
data_MgFe4(CoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.266
_cell_length_b   6.005
_cell_length_c   5.971
_cell_angle_alpha   59.811
_cell_angle_beta   64.030
_cell_angle_gamma   61.371
_symmetry_Int_Tables_number   1
_cell_volume   164.584
_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  0.625  0.125  0.125  1.0
  Fe  Fe1  1  0.105  0.936  0.023  1.0
  Fe  Fe2  1  0.145  0.314  0.227  1.0
  Fe  Fe3  1  0.125  0.625  0.625  1.0
  Fe  Fe4  1  0.625  0.625  0.125  1.0
  Co  Co5  1  0.625  0.125  0.625  1.0
  Co  Co6  1  0.625  0.625  0.625  1.0
  O  O7  1  0.376  0.400  0.347  1.0
  O  O8  1  0.377  0.385  0.854  1.0
  O  O9  1  0.376  0.878  0.347  1.0
  O  O10  1  0.799  0.393  0.414  1.0
  O  O11  1  0.451  0.857  0.836  1.0
  O  O12  1  0.874  0.372  0.903  1.0
  O  O13  1  0.873  0.865  0.396  1.0
  O  O14  1  0.874  0.850  0.903  1.0
[/CIF]
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The crystal structure described by MgFe4(CoO4)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the second Fe site, Fe(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the third Fe site, Fe(3) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form FeO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. Co(1) 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(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Fe(1), one Fe(2), one Fe(3), and one Co(1) atom to form distorted OMgFe3Co square pyramids that share corners with five equivalent O(1)MgFe3Co square pyramids, corners with three equivalent O(3)Fe2Co2 tetrahedra,  a cornercorner with one O(2)MgFe2Co2 trigonal bipyramid, edges with three equivalent O(1)MgFe3Co square pyramids,  an edgeedge with one O(3)Fe2Co2 tetrahedra, and edges with three equivalent O(2)MgFe2Co2 trigonal bipyramids. In the second O site, O(2) is bonded to one Mg(1), one Fe(1), one Fe(2), and two equivalent Co(1) atoms to form OMgFe2Co2 trigonal bipyramids that share corners with two equivalent O(1)MgFe3Co square pyramids, corners with three equivalent O(3)Fe2Co2 tetrahedra, corners with four equivalent O(2)MgFe2Co2 trigonal bipyramids, edges with six equivalent O(1)MgFe3Co square pyramids, and  an edgeedge with one O(3)Fe2Co2 tetrahedra. In the third O site, O(3) is bonded to one Fe(1), one Fe(3), and two equivalent Co(1) atoms to form OFe2Co2 tetrahedra that share corners with six equivalent O(1)MgFe3Co square pyramids, corners with three equivalent O(3)Fe2Co2 tetrahedra, corners with three equivalent O(2)MgFe2Co2 trigonal bipyramids, edges with two equivalent O(1)MgFe3Co square pyramids, and  an edgeedge with one O(2)MgFe2Co2 trigonal bipyramid. is represented by the CIF card [CIF]
data_MgFe4(CoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.266
_cell_length_b   6.005
_cell_length_c   5.971
_cell_angle_alpha   59.811
_cell_angle_beta   64.030
_cell_angle_gamma   61.371
_symmetry_Int_Tables_number   1
_cell_volume   164.584
_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  0.625  0.125  0.125  1.0
  Fe  Fe1  1  0.105  0.936  0.023  1.0
  Fe  Fe2  1  0.145  0.314  0.227  1.0
  Fe  Fe3  1  0.125  0.625  0.625  1.0
  Fe  Fe4  1  0.625  0.625  0.125  1.0
  Co  Co5  1  0.625  0.125  0.625  1.0
  Co  Co6  1  0.625  0.625  0.625  1.0
  O  O7  1  0.376  0.400  0.347  1.0
  O  O8  1  0.377  0.385  0.854  1.0
  O  O9  1  0.376  0.878  0.347  1.0
  O  O10  1  0.799  0.393  0.414  1.0
  O  O11  1  0.451  0.857  0.836  1.0
  O  O12  1  0.874  0.372  0.903  1.0
  O  O13  1  0.873  0.865  0.396  1.0
  O  O14  1  0.874  0.850  0.903  1.0
[/CIF]
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