The compound described by MgFeCoO4 crystallizes in the monoclinic P2/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 Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. 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 Fe(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. 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 Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Fe(1), and one Co(1) atom. In the second O site, O(2) is bonded to two equivalent Mg(1), one Fe(1), and two equivalent Co(1) atoms to form a mixture of edge and corner-sharing OMg2FeCo2 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFeCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.217
_cell_length_b   10.586
_cell_length_c   10.135
_cell_angle_alpha   16.791
_cell_angle_beta   27.875
_cell_angle_gamma   32.191
_symmetry_Int_Tables_number   1
_cell_volume   75.600
_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  0.000  0.500  0.000  1.0
  Fe  Fe1  1  0.500  0.000  0.500  1.0
  Co  Co2  1  0.500  0.500  0.500  1.0
  O  O3  1  0.230  0.500  0.240  1.0
  O  O4  1  0.770  0.500  0.760  1.0
  O  O5  1  0.226  0.000  0.259  1.0
  O  O6  1  0.774  0.000  0.741  1.0
[/CIF]
.
The compound described by MgFeCoO4 crystallizes in the monoclinic P2/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 Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. 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 Fe(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. 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 Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Fe(1), and one Co(1) atom. In the second O site, O(2) is bonded to two equivalent Mg(1), one Fe(1), and two equivalent Co(1) atoms to form a mixture of edge and corner-sharing OMg2FeCo2 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFeCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.217
_cell_length_b   10.586
_cell_length_c   10.135
_cell_angle_alpha   16.791
_cell_angle_beta   27.875
_cell_angle_gamma   32.191
_symmetry_Int_Tables_number   1
_cell_volume   75.600
_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  0.000  0.500  0.000  1.0
  Fe  Fe1  1  0.500  0.000  0.500  1.0
  Co  Co2  1  0.500  0.500  0.500  1.0
  O  O3  1  0.230  0.500  0.240  1.0
  O  O4  1  0.770  0.500  0.760  1.0
  O  O5  1  0.226  0.000  0.259  1.0
  O  O6  1  0.774  0.000  0.741  1.0
[/CIF]
.