The material described by MgFe4(CoO4)2 crystallizes in the trigonal R-3m space group. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Fe(2)O6 octahedra and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2) 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 Fe(1)O6 octahedra. In the second Fe site, Fe(2) is bonded to six equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. Co(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2) and three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Fe(2), two equivalent Fe(1), and one Co(1) atom to form OMgFe3Co square pyramids that share corners with six equivalent O(1)MgFe3Co square pyramids, corners with three equivalent O(2)Fe3Co tetrahedra, edges with six equivalent O(1)MgFe3Co square pyramids, and  an edgeedge with one O(2)Fe3Co tetrahedra. In the second O site, O(2) is bonded to three equivalent Fe(1) and one Co(1) atom to form distorted OFe3Co tetrahedra that share corners with nine equivalent O(1)MgFe3Co square pyramids, corners with three equivalent O(2)Fe3Co tetrahedra, and edges with three equivalent O(1)MgFe3Co square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe4(CoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.980
_cell_length_b   5.980
_cell_length_c   6.325
_cell_angle_alpha   61.788
_cell_angle_beta   61.788
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   164.141
_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  0.875  0.875  0.375  1.0
  Fe  Fe1  1  0.875  0.375  0.375  1.0
  Fe  Fe2  1  0.375  0.875  0.375  1.0
  Fe  Fe3  1  0.375  0.375  0.875  1.0
  Fe  Fe4  1  0.375  0.375  0.375  1.0
  Co  Co5  1  0.723  0.723  0.832  1.0
  Co  Co6  1  0.027  0.027  0.918  1.0
  O  O7  1  0.622  0.118  0.142  1.0
  O  O8  1  0.118  0.622  0.142  1.0
  O  O9  1  0.145  0.145  0.565  1.0
  O  O10  1  0.118  0.118  0.142  1.0
  O  O11  1  0.128  0.632  0.608  1.0
  O  O12  1  0.632  0.128  0.608  1.0
  O  O13  1  0.605  0.605  0.185  1.0
  O  O14  1  0.632  0.632  0.608  1.0
[/CIF]
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The material described by MgFe4(CoO4)2 crystallizes in the trigonal R-3m space group. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Fe(2)O6 octahedra and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2) 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 Fe(1)O6 octahedra. In the second Fe site, Fe(2) is bonded to six equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. Co(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2) and three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Fe(2), two equivalent Fe(1), and one Co(1) atom to form OMgFe3Co square pyramids that share corners with six equivalent O(1)MgFe3Co square pyramids, corners with three equivalent O(2)Fe3Co tetrahedra, edges with six equivalent O(1)MgFe3Co square pyramids, and  an edgeedge with one O(2)Fe3Co tetrahedra. In the second O site, O(2) is bonded to three equivalent Fe(1) and one Co(1) atom to form distorted OFe3Co tetrahedra that share corners with nine equivalent O(1)MgFe3Co square pyramids, corners with three equivalent O(2)Fe3Co tetrahedra, and edges with three equivalent O(1)MgFe3Co square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe4(CoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.980
_cell_length_b   5.980
_cell_length_c   6.325
_cell_angle_alpha   61.788
_cell_angle_beta   61.788
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   164.141
_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  0.875  0.875  0.375  1.0
  Fe  Fe1  1  0.875  0.375  0.375  1.0
  Fe  Fe2  1  0.375  0.875  0.375  1.0
  Fe  Fe3  1  0.375  0.375  0.875  1.0
  Fe  Fe4  1  0.375  0.375  0.375  1.0
  Co  Co5  1  0.723  0.723  0.832  1.0
  Co  Co6  1  0.027  0.027  0.918  1.0
  O  O7  1  0.622  0.118  0.142  1.0
  O  O8  1  0.118  0.622  0.142  1.0
  O  O9  1  0.145  0.145  0.565  1.0
  O  O10  1  0.118  0.118  0.142  1.0
  O  O11  1  0.128  0.632  0.608  1.0
  O  O12  1  0.632  0.128  0.608  1.0
  O  O13  1  0.605  0.605  0.185  1.0
  O  O14  1  0.632  0.632  0.608  1.0
[/CIF]
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