The compound 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 four equivalent Co(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and faces with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 38°. Mn(1) is bonded in a distorted square co-planar geometry to four equivalent O(2) atoms. Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted CoO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded to one Mg(1), two equivalent Mn(1), and one Co(1) atom to form a mixture of distorted corner and edge-sharing OMgMn2Co tetrahedra. is represented by the CIF card [CIF]
data_MgMnCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.285
_cell_length_b   5.603
_cell_length_c   5.862
_cell_angle_alpha   95.998
_cell_angle_beta   108.261
_cell_angle_gamma   26.962
_symmetry_Int_Tables_number   1
_cell_volume   81.243
_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  0.967  0.538  0.005  1.0
  Mn  Mn1  1  0.467  0.539  0.005  1.0
  Co  Co2  1  0.467  0.038  0.505  1.0
  O  O3  1  0.175  0.212  0.714  1.0
  O  O4  1  0.132  0.066  0.170  1.0
  O  O5  1  0.802  0.010  0.840  1.0
  O  O6  1  0.758  0.864  0.297  1.0
[/CIF]
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The compound 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 four equivalent Co(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and faces with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 38°. Mn(1) is bonded in a distorted square co-planar geometry to four equivalent O(2) atoms. Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted CoO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded to one Mg(1), two equivalent Mn(1), and one Co(1) atom to form a mixture of distorted corner and edge-sharing OMgMn2Co tetrahedra. is represented by the CIF card [CIF]
data_MgMnCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.285
_cell_length_b   5.603
_cell_length_c   5.862
_cell_angle_alpha   95.998
_cell_angle_beta   108.261
_cell_angle_gamma   26.962
_symmetry_Int_Tables_number   1
_cell_volume   81.243
_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  0.967  0.538  0.005  1.0
  Mn  Mn1  1  0.467  0.539  0.005  1.0
  Co  Co2  1  0.467  0.038  0.505  1.0
  O  O3  1  0.175  0.212  0.714  1.0
  O  O4  1  0.132  0.066  0.170  1.0
  O  O5  1  0.802  0.010  0.840  1.0
  O  O6  1  0.758  0.864  0.297  1.0
[/CIF]
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