The compound described by MgFe4(CoO4)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(2)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 two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the second Co site, Co(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form CoO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Fe(1), two equivalent Fe(2), and one Co(1) atom to form OMgFe3Co trigonal bipyramids that share corners with two equivalent O(2)MgFe2Co2 square pyramids, corners with three equivalent O(3)Fe3Co tetrahedra, corners with four equivalent O(1)MgFe3Co trigonal bipyramids, edges with six equivalent O(2)MgFe2Co2 square pyramids, and  an edgeedge with one O(3)Fe3Co tetrahedra. In the second O site, O(2) is bonded to one Mg(1), one Fe(1), one Fe(2), one Co(1), and one Co(2) atom to form OMgFe2Co2 square pyramids that share corners with five equivalent O(2)MgFe2Co2 square pyramids, corners with three equivalent O(3)Fe3Co tetrahedra,  a cornercorner with one O(1)MgFe3Co trigonal bipyramid, edges with three equivalent O(2)MgFe2Co2 square pyramids,  an edgeedge with one O(3)Fe3Co tetrahedra, and edges with three equivalent O(1)MgFe3Co trigonal bipyramids. In the third O site, O(3) is bonded to one Fe(1), two equivalent Fe(2), and one Co(2) atom to form distorted OFe3Co tetrahedra that share corners with six equivalent O(2)MgFe2Co2 square pyramids, corners with three equivalent O(3)Fe3Co tetrahedra, corners with three equivalent O(1)MgFe3Co trigonal bipyramids, edges with two equivalent O(2)MgFe2Co2 square pyramids, and  an edgeedge with one O(1)MgFe3Co trigonal bipyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe4(CoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.967
_cell_length_b   6.344
_cell_length_c   5.967
_cell_angle_alpha   62.301
_cell_angle_beta   60.183
_cell_angle_gamma   62.301
_symmetry_Int_Tables_number   1
_cell_volume   165.306
_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  0.125  0.625  0.125  1.0
  Fe  Fe1  1  0.975  0.086  0.975  1.0
  Fe  Fe2  1  0.275  0.164  0.275  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  0.366  0.395  0.366  1.0
  O  O8  1  0.362  0.393  0.866  1.0
  O  O9  1  0.394  0.809  0.394  1.0
  O  O10  1  0.866  0.393  0.362  1.0
  O  O11  1  0.384  0.857  0.888  1.0
  O  O12  1  0.856  0.441  0.856  1.0
  O  O13  1  0.888  0.857  0.384  1.0
  O  O14  1  0.884  0.855  0.884  1.0
[/CIF]
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The compound described by MgFe4(CoO4)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(2)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 two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the second Co site, Co(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form CoO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Fe(1), two equivalent Fe(2), and one Co(1) atom to form OMgFe3Co trigonal bipyramids that share corners with two equivalent O(2)MgFe2Co2 square pyramids, corners with three equivalent O(3)Fe3Co tetrahedra, corners with four equivalent O(1)MgFe3Co trigonal bipyramids, edges with six equivalent O(2)MgFe2Co2 square pyramids, and  an edgeedge with one O(3)Fe3Co tetrahedra. In the second O site, O(2) is bonded to one Mg(1), one Fe(1), one Fe(2), one Co(1), and one Co(2) atom to form OMgFe2Co2 square pyramids that share corners with five equivalent O(2)MgFe2Co2 square pyramids, corners with three equivalent O(3)Fe3Co tetrahedra,  a cornercorner with one O(1)MgFe3Co trigonal bipyramid, edges with three equivalent O(2)MgFe2Co2 square pyramids,  an edgeedge with one O(3)Fe3Co tetrahedra, and edges with three equivalent O(1)MgFe3Co trigonal bipyramids. In the third O site, O(3) is bonded to one Fe(1), two equivalent Fe(2), and one Co(2) atom to form distorted OFe3Co tetrahedra that share corners with six equivalent O(2)MgFe2Co2 square pyramids, corners with three equivalent O(3)Fe3Co tetrahedra, corners with three equivalent O(1)MgFe3Co trigonal bipyramids, edges with two equivalent O(2)MgFe2Co2 square pyramids, and  an edgeedge with one O(1)MgFe3Co trigonal bipyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe4(CoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.967
_cell_length_b   6.344
_cell_length_c   5.967
_cell_angle_alpha   62.301
_cell_angle_beta   60.183
_cell_angle_gamma   62.301
_symmetry_Int_Tables_number   1
_cell_volume   165.306
_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  0.125  0.625  0.125  1.0
  Fe  Fe1  1  0.975  0.086  0.975  1.0
  Fe  Fe2  1  0.275  0.164  0.275  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  0.366  0.395  0.366  1.0
  O  O8  1  0.362  0.393  0.866  1.0
  O  O9  1  0.394  0.809  0.394  1.0
  O  O10  1  0.866  0.393  0.362  1.0
  O  O11  1  0.384  0.857  0.888  1.0
  O  O12  1  0.856  0.441  0.856  1.0
  O  O13  1  0.888  0.857  0.384  1.0
  O  O14  1  0.884  0.855  0.884  1.0
[/CIF]
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