The material structure described by MgFeCo3O8 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-13°. 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 Co(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-13°. In the second Co site, Co(2) 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(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Fe(1) and two equivalent Co(2) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(1), and two equivalent Co(2) atoms. is represented by the CIF file [CIF]
data_MgFeCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.945
_cell_length_b   5.832
_cell_length_c   5.741
_cell_angle_alpha   60.507
_cell_angle_beta   61.125
_cell_angle_gamma   89.509
_symmetry_Int_Tables_number   1
_cell_volume   144.670
_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  0.500  0.500  0.500  1.0
  Fe  Fe1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.000  0.000  0.500  1.0
  Co  Co3  1  0.000  0.500  0.000  1.0
  Co  Co4  1  0.000  0.500  0.500  1.0
  O  O5  1  0.210  0.255  0.016  1.0
  O  O6  1  0.210  0.255  0.519  1.0
  O  O7  1  0.193  0.705  0.051  1.0
  O  O8  1  0.209  0.713  0.539  1.0
  O  O9  1  0.791  0.287  0.461  1.0
  O  O10  1  0.807  0.295  0.949  1.0
  O  O11  1  0.790  0.745  0.481  1.0
  O  O12  1  0.790  0.745  0.984  1.0
[/CIF]
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The material structure described by MgFeCo3O8 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-13°. 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 Co(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-13°. In the second Co site, Co(2) 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(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Fe(1) and two equivalent Co(2) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(1), and two equivalent Co(2) atoms. is represented by the CIF file [CIF]
data_MgFeCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.945
_cell_length_b   5.832
_cell_length_c   5.741
_cell_angle_alpha   60.507
_cell_angle_beta   61.125
_cell_angle_gamma   89.509
_symmetry_Int_Tables_number   1
_cell_volume   144.670
_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  0.500  0.500  0.500  1.0
  Fe  Fe1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.000  0.000  0.500  1.0
  Co  Co3  1  0.000  0.500  0.000  1.0
  Co  Co4  1  0.000  0.500  0.500  1.0
  O  O5  1  0.210  0.255  0.016  1.0
  O  O6  1  0.210  0.255  0.519  1.0
  O  O7  1  0.193  0.705  0.051  1.0
  O  O8  1  0.209  0.713  0.539  1.0
  O  O9  1  0.791  0.287  0.461  1.0
  O  O10  1  0.807  0.295  0.949  1.0
  O  O11  1  0.790  0.745  0.481  1.0
  O  O12  1  0.790  0.745  0.984  1.0
[/CIF]
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