The material structure described by MgFe4(CoO4)2 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form distorted MgO4 tetrahedra that share corners with six equivalent Fe(3)O6 octahedra and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-65°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with four equivalent Fe(3)O6 octahedra,  an edgeedge with one Mg(1)O4 tetrahedra, and faces with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles are 47°. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. In the third Fe site, Fe(3) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form distorted FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Fe(3)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 47°. Co(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Fe(1), one Fe(2), two equivalent Fe(3), and one Co(1) atom. In the second O site, O(2) is bonded to one Mg(1), one Fe(2), one Fe(3), and two equivalent Co(1) atoms to form OMgFe2Co2 trigonal bipyramids that share corners with five equivalent O(3)Fe2Co2 tetrahedra,  a cornercorner with one O(2)MgFe2Co2 trigonal bipyramid, and  a faceface with one O(2)MgFe2Co2 trigonal bipyramid. 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  a cornercorner with one O(3)Fe2Co2 tetrahedra, corners with five equivalent O(2)MgFe2Co2 trigonal bipyramids, and  an edgeedge with one O(3)Fe2Co2 tetrahedra. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mg(1), one Fe(1), one Fe(2), and two equivalent Fe(3) atoms. is represented by the CIF file [CIF]
data_MgFe4(CoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.148
_cell_length_b   6.105
_cell_length_c   6.148
_cell_angle_alpha   60.229
_cell_angle_beta   64.260
_cell_angle_gamma   60.229
_symmetry_Int_Tables_number   1
_cell_volume   168.354
_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  0.801  0.199  0.801  1.0
  Fe  Fe1  1  0.120  0.880  0.120  1.0
  Fe  Fe2  1  0.195  0.305  0.195  1.0
  Fe  Fe3  1  0.084  0.626  0.664  1.0
  Fe  Fe4  1  0.664  0.626  0.084  1.0
  Co  Co5  1  0.561  0.162  0.561  1.0
  Co  Co6  1  0.561  0.716  0.561  1.0
  O  O7  1  0.324  0.440  0.324  1.0
  O  O8  1  0.412  0.383  0.822  1.0
  O  O9  1  0.324  0.912  0.324  1.0
  O  O10  1  0.822  0.383  0.412  1.0
  O  O11  1  0.446  0.860  0.835  1.0
  O  O12  1  0.936  0.326  0.936  1.0
  O  O13  1  0.835  0.860  0.446  1.0
  O  O14  1  0.936  0.802  0.936  1.0
[/CIF]
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The material structure described by MgFe4(CoO4)2 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form distorted MgO4 tetrahedra that share corners with six equivalent Fe(3)O6 octahedra and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-65°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with four equivalent Fe(3)O6 octahedra,  an edgeedge with one Mg(1)O4 tetrahedra, and faces with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles are 47°. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. In the third Fe site, Fe(3) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form distorted FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Fe(3)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 47°. Co(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Fe(1), one Fe(2), two equivalent Fe(3), and one Co(1) atom. In the second O site, O(2) is bonded to one Mg(1), one Fe(2), one Fe(3), and two equivalent Co(1) atoms to form OMgFe2Co2 trigonal bipyramids that share corners with five equivalent O(3)Fe2Co2 tetrahedra,  a cornercorner with one O(2)MgFe2Co2 trigonal bipyramid, and  a faceface with one O(2)MgFe2Co2 trigonal bipyramid. 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  a cornercorner with one O(3)Fe2Co2 tetrahedra, corners with five equivalent O(2)MgFe2Co2 trigonal bipyramids, and  an edgeedge with one O(3)Fe2Co2 tetrahedra. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mg(1), one Fe(1), one Fe(2), and two equivalent Fe(3) atoms. is represented by the CIF file [CIF]
data_MgFe4(CoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.148
_cell_length_b   6.105
_cell_length_c   6.148
_cell_angle_alpha   60.229
_cell_angle_beta   64.260
_cell_angle_gamma   60.229
_symmetry_Int_Tables_number   1
_cell_volume   168.354
_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  0.801  0.199  0.801  1.0
  Fe  Fe1  1  0.120  0.880  0.120  1.0
  Fe  Fe2  1  0.195  0.305  0.195  1.0
  Fe  Fe3  1  0.084  0.626  0.664  1.0
  Fe  Fe4  1  0.664  0.626  0.084  1.0
  Co  Co5  1  0.561  0.162  0.561  1.0
  Co  Co6  1  0.561  0.716  0.561  1.0
  O  O7  1  0.324  0.440  0.324  1.0
  O  O8  1  0.412  0.383  0.822  1.0
  O  O9  1  0.324  0.912  0.324  1.0
  O  O10  1  0.822  0.383  0.412  1.0
  O  O11  1  0.446  0.860  0.835  1.0
  O  O12  1  0.936  0.326  0.936  1.0
  O  O13  1  0.835  0.860  0.446  1.0
  O  O14  1  0.936  0.802  0.936  1.0
[/CIF]
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