The compound described by MgMn(CoO3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(5), and two equivalent O(4) atoms. Mn(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share 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. 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 distorted CoO6 octahedra that share 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. In the second Co site, Co(2) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(5) atoms to form CoO6 octahedra that share 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. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Mn(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one Co(2) atom. 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. In the fourth O site, O(4) is bonded to two equivalent Mg(1), two equivalent Mn(1), and one Co(1) atom to form distorted OMg2Mn2Co trigonal bipyramids that share edges with two equivalent O(4)Mg2Mn2Co trigonal bipyramids and edges with two equivalent O(5)MgMnCo2 trigonal pyramids. In the fifth O site, O(5) is bonded to one Mg(1), one Mn(1), and two equivalent Co(2) atoms to form OMgMnCo2 trigonal pyramids that share corners with two equivalent O(5)MgMnCo2 trigonal pyramids and edges with two equivalent O(4)Mg2Mn2Co trigonal bipyramids. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Co(2) and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_MgMn(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.242
_cell_length_b   2.925
_cell_length_c   6.255
_cell_angle_alpha   90.159
_cell_angle_beta   108.615
_cell_angle_gamma   78.220
_symmetry_Int_Tables_number   1
_cell_volume   122.646
_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  0.533  0.230  0.087  1.0
  Mn  Mn1  1  0.325  0.337  0.355  1.0
  Co  Co2  1  0.003  0.998  0.999  1.0
  Co  Co3  1  0.683  0.659  0.667  1.0
  O  O4  1  0.045  0.478  0.211  1.0
  O  O5  1  0.349  0.827  0.553  1.0
  O  O6  1  0.680  0.163  0.884  1.0
  O  O7  1  0.341  0.828  0.127  1.0
  O  O8  1  0.617  0.191  0.431  1.0
  O  O9  1  0.963  0.517  0.790  1.0
[/CIF]
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The compound described by MgMn(CoO3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(5), and two equivalent O(4) atoms. Mn(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share 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. 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 distorted CoO6 octahedra that share 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. In the second Co site, Co(2) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(5) atoms to form CoO6 octahedra that share 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. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Mn(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one Co(2) atom. 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. In the fourth O site, O(4) is bonded to two equivalent Mg(1), two equivalent Mn(1), and one Co(1) atom to form distorted OMg2Mn2Co trigonal bipyramids that share edges with two equivalent O(4)Mg2Mn2Co trigonal bipyramids and edges with two equivalent O(5)MgMnCo2 trigonal pyramids. In the fifth O site, O(5) is bonded to one Mg(1), one Mn(1), and two equivalent Co(2) atoms to form OMgMnCo2 trigonal pyramids that share corners with two equivalent O(5)MgMnCo2 trigonal pyramids and edges with two equivalent O(4)Mg2Mn2Co trigonal bipyramids. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Co(2) and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_MgMn(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.242
_cell_length_b   2.925
_cell_length_c   6.255
_cell_angle_alpha   90.159
_cell_angle_beta   108.615
_cell_angle_gamma   78.220
_symmetry_Int_Tables_number   1
_cell_volume   122.646
_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  0.533  0.230  0.087  1.0
  Mn  Mn1  1  0.325  0.337  0.355  1.0
  Co  Co2  1  0.003  0.998  0.999  1.0
  Co  Co3  1  0.683  0.659  0.667  1.0
  O  O4  1  0.045  0.478  0.211  1.0
  O  O5  1  0.349  0.827  0.553  1.0
  O  O6  1  0.680  0.163  0.884  1.0
  O  O7  1  0.341  0.828  0.127  1.0
  O  O8  1  0.617  0.191  0.431  1.0
  O  O9  1  0.963  0.517  0.790  1.0
[/CIF]
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