The material structure described by MgCoMnO4 crystallizes in the monoclinic P2/m space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), two equivalent Mn(1), and one Co(1) atom to form a mixture of corner and edge-sharing OMg2Mn2Co square pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_MgMnCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.084
_cell_length_b   2.987
_cell_length_c   4.942
_cell_angle_alpha   90.000
_cell_angle_beta   74.228
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   72.236
_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  0.500  1.0
  Mn  Mn1  1  0.500  0.500  0.000  1.0
  Co  Co2  1  0.500  0.000  0.500  1.0
  O  O3  1  0.729  0.000  0.748  1.0
  O  O4  1  0.715  0.500  0.272  1.0
  O  O5  1  0.285  0.500  0.728  1.0
  O  O6  1  0.271  0.000  0.252  1.0
[/CIF]
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The material structure described by MgCoMnO4 crystallizes in the monoclinic P2/m space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), two equivalent Mn(1), and one Co(1) atom to form a mixture of corner and edge-sharing OMg2Mn2Co square pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_MgMnCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.084
_cell_length_b   2.987
_cell_length_c   4.942
_cell_angle_alpha   90.000
_cell_angle_beta   74.228
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   72.236
_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  0.500  1.0
  Mn  Mn1  1  0.500  0.500  0.000  1.0
  Co  Co2  1  0.500  0.000  0.500  1.0
  O  O3  1  0.729  0.000  0.748  1.0
  O  O4  1  0.715  0.500  0.272  1.0
  O  O5  1  0.285  0.500  0.728  1.0
  O  O6  1  0.271  0.000  0.252  1.0
[/CIF]
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