The structure described by MgMnCo3O8 is beta indium sulfide-derived structured and crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(6) atoms to form distorted MgO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with eight equivalent Co(2)O6 octahedra,  a faceface with one Mn(1)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-49°. Mn(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Co(2)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Co(2)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted CoO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-49°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1) and two equivalent Co(2) atoms. In the third O site, O(3) is bonded to one Mg(1), one Co(1), and two equivalent Co(2) atoms to form a mixture of distorted edge and corner-sharing OMgCo3 trigonal pyramids. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Co(1) and two equivalent Co(2) atoms. In the fifth O site, O(5) is bonded to one Mg(1), one Mn(1), and two equivalent Co(2) atoms to form a mixture of edge and corner-sharing OMgMnCo2 trigonal pyramids. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Co(1), and one Co(2) atom. is represented by the CIF file [CIF]
data_MgMnCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.624
_cell_length_b   5.921
_cell_length_c   5.783
_cell_angle_alpha   71.603
_cell_angle_beta   60.949
_cell_angle_gamma   61.639
_symmetry_Int_Tables_number   1
_cell_volume   147.250
_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  0.756  0.991  0.497  1.0
  Mn  Mn1  1  0.026  0.987  0.961  1.0
  Co  Co2  1  0.491  0.991  0.026  1.0
  Co  Co3  1  0.010  0.489  0.997  1.0
  Co  Co4  1  0.503  0.489  0.997  1.0
  O  O5  1  0.314  0.138  0.775  1.0
  O  O6  1  0.773  0.138  0.775  1.0
  O  O7  1  0.261  0.672  0.805  1.0
  O  O8  1  0.740  0.692  0.827  1.0
  O  O9  1  0.260  0.300  0.182  1.0
  O  O10  1  0.772  0.288  0.168  1.0
  O  O11  1  0.210  0.840  0.213  1.0
  O  O12  1  0.737  0.840  0.213  1.0
[/CIF]
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The structure described by MgMnCo3O8 is beta indium sulfide-derived structured and crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(6) atoms to form distorted MgO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with eight equivalent Co(2)O6 octahedra,  a faceface with one Mn(1)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-49°. Mn(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Co(2)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Co(2)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted CoO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-49°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1) and two equivalent Co(2) atoms. In the third O site, O(3) is bonded to one Mg(1), one Co(1), and two equivalent Co(2) atoms to form a mixture of distorted edge and corner-sharing OMgCo3 trigonal pyramids. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Co(1) and two equivalent Co(2) atoms. In the fifth O site, O(5) is bonded to one Mg(1), one Mn(1), and two equivalent Co(2) atoms to form a mixture of edge and corner-sharing OMgMnCo2 trigonal pyramids. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Co(1), and one Co(2) atom. is represented by the CIF file [CIF]
data_MgMnCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.624
_cell_length_b   5.921
_cell_length_c   5.783
_cell_angle_alpha   71.603
_cell_angle_beta   60.949
_cell_angle_gamma   61.639
_symmetry_Int_Tables_number   1
_cell_volume   147.250
_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  0.756  0.991  0.497  1.0
  Mn  Mn1  1  0.026  0.987  0.961  1.0
  Co  Co2  1  0.491  0.991  0.026  1.0
  Co  Co3  1  0.010  0.489  0.997  1.0
  Co  Co4  1  0.503  0.489  0.997  1.0
  O  O5  1  0.314  0.138  0.775  1.0
  O  O6  1  0.773  0.138  0.775  1.0
  O  O7  1  0.261  0.672  0.805  1.0
  O  O8  1  0.740  0.692  0.827  1.0
  O  O9  1  0.260  0.300  0.182  1.0
  O  O10  1  0.772  0.288  0.168  1.0
  O  O11  1  0.210  0.840  0.213  1.0
  O  O12  1  0.737  0.840  0.213  1.0
[/CIF]
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