The structure described by MgCr(CoO3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(4), and two equivalent O(6) atoms. Cr(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form CrO6 octahedra that share edges with two equivalent Cr(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 in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(6) atoms. 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 Cr(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 distorted trigonal non-coplanar geometry to one Cr(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), two equivalent Cr(1), and one Co(2) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Co(1) and two equivalent Co(2) atoms. In the fourth O site, O(4) is bonded to one Mg(1), two equivalent Cr(1), and one Co(1) atom to form corner-sharing OMgCr2Co trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Cr(1) and two equivalent Co(2) atoms. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Co(2), and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_MgCr(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.642
_cell_length_b   3.023
_cell_length_c   6.095
_cell_angle_alpha   91.438
_cell_angle_beta   106.630
_cell_angle_gamma   75.672
_symmetry_Int_Tables_number   1
_cell_volume   113.489
_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  0.176  0.886  0.739  1.0
  Cr  Cr1  1  0.347  0.324  0.319  1.0
  Co  Co2  1  0.965  0.020  0.061  1.0
  Co  Co3  1  0.685  0.654  0.656  1.0
  O  O4  1  0.023  0.501  0.264  1.0
  O  O5  1  0.376  0.820  0.550  1.0
  O  O6  1  0.683  0.164  0.859  1.0
  O  O7  1  0.289  0.844  0.090  1.0
  O  O8  1  0.670  0.155  0.453  1.0
  O  O9  1  0.987  0.491  0.774  1.0
[/CIF]
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The structure described by MgCr(CoO3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(4), and two equivalent O(6) atoms. Cr(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form CrO6 octahedra that share edges with two equivalent Cr(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 in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(6) atoms. 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 Cr(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 distorted trigonal non-coplanar geometry to one Cr(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), two equivalent Cr(1), and one Co(2) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Co(1) and two equivalent Co(2) atoms. In the fourth O site, O(4) is bonded to one Mg(1), two equivalent Cr(1), and one Co(1) atom to form corner-sharing OMgCr2Co trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Cr(1) and two equivalent Co(2) atoms. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Co(2), and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_MgCr(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.642
_cell_length_b   3.023
_cell_length_c   6.095
_cell_angle_alpha   91.438
_cell_angle_beta   106.630
_cell_angle_gamma   75.672
_symmetry_Int_Tables_number   1
_cell_volume   113.489
_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  0.176  0.886  0.739  1.0
  Cr  Cr1  1  0.347  0.324  0.319  1.0
  Co  Co2  1  0.965  0.020  0.061  1.0
  Co  Co3  1  0.685  0.654  0.656  1.0
  O  O4  1  0.023  0.501  0.264  1.0
  O  O5  1  0.376  0.820  0.550  1.0
  O  O6  1  0.683  0.164  0.859  1.0
  O  O7  1  0.289  0.844  0.090  1.0
  O  O8  1  0.670  0.155  0.453  1.0
  O  O9  1  0.987  0.491  0.774  1.0
[/CIF]
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