The compound described by MgMn(CoO3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a rectangular see-saw-like geometry to one O(3), one O(5), and two equivalent O(1) 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 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 to two equivalent Mg(1), one Mn(1), and two equivalent Co(1) atoms to form distorted edge-sharing OMg2MnCo2 trigonal bipyramids. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar 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 in a distorted T-shaped geometry to two equivalent Mn(1) and one Co(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), and two equivalent Co(2) atoms. 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 file [CIF]
data_MgMn(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.746
_cell_length_b   2.944
_cell_length_c   6.278
_cell_angle_alpha   91.412
_cell_angle_beta   109.486
_cell_angle_gamma   77.612
_symmetry_Int_Tables_number   1
_cell_volume   114.645
_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  0.801  0.098  0.241  1.0
  Mn  Mn1  1  0.331  0.346  0.333  1.0
  Co  Co2  1  0.008  0.988  0.980  1.0
  Co  Co3  1  0.666  0.659  0.681  1.0
  O  O4  1  0.010  0.496  0.214  1.0
  O  O5  1  0.356  0.843  0.542  1.0
  O  O6  1  0.702  0.119  0.901  1.0
  O  O7  1  0.314  0.845  0.123  1.0
  O  O8  1  0.640  0.214  0.443  1.0
  O  O9  1  0.972  0.495  0.781  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 rectangular see-saw-like geometry to one O(3), one O(5), and two equivalent O(1) 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 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 to two equivalent Mg(1), one Mn(1), and two equivalent Co(1) atoms to form distorted edge-sharing OMg2MnCo2 trigonal bipyramids. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar 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 in a distorted T-shaped geometry to two equivalent Mn(1) and one Co(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), and two equivalent Co(2) atoms. 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 file [CIF]
data_MgMn(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.746
_cell_length_b   2.944
_cell_length_c   6.278
_cell_angle_alpha   91.412
_cell_angle_beta   109.486
_cell_angle_gamma   77.612
_symmetry_Int_Tables_number   1
_cell_volume   114.645
_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  0.801  0.098  0.241  1.0
  Mn  Mn1  1  0.331  0.346  0.333  1.0
  Co  Co2  1  0.008  0.988  0.980  1.0
  Co  Co3  1  0.666  0.659  0.681  1.0
  O  O4  1  0.010  0.496  0.214  1.0
  O  O5  1  0.356  0.843  0.542  1.0
  O  O6  1  0.702  0.119  0.901  1.0
  O  O7  1  0.314  0.845  0.123  1.0
  O  O8  1  0.640  0.214  0.443  1.0
  O  O9  1  0.972  0.495  0.781  1.0
[/CIF]
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