The compound described by MgTi(CoO3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form MgO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(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 7-27°. Ti(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(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 are 20°. 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  a cornercorner with one Mg(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(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 are 27°. 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 corners with four equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(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 7-13°. 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 Ti(1), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to two equivalent Ti(1) and one Co(2) atom. In the third O site, O(3) is bonded to two equivalent Mg(1), one Co(1), and two equivalent Co(2) atoms to form OMg2Co3 square pyramids that share corners with four equivalent O(5)Mg2TiCo2 square pyramids, edges with two equivalent O(3)Mg2Co3 square pyramids, and edges with two equivalent O(5)Mg2TiCo2 square pyramids. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Ti(1), and one Co(1) atom. In the fifth O site, O(5) is bonded to two equivalent Mg(1), one Ti(1), and two equivalent Co(2) atoms to form OMg2TiCo2 square pyramids that share corners with four equivalent O(3)Mg2Co3 square pyramids, edges with two equivalent O(3)Mg2Co3 square pyramids, and edges with two equivalent O(5)Mg2TiCo2 square pyramids. 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_MgTi(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.414
_cell_length_b   3.028
_cell_length_c   5.908
_cell_angle_alpha   90.009
_cell_angle_beta   102.108
_cell_angle_gamma   76.370
_symmetry_Int_Tables_number   1
_cell_volume   108.882
_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  0.660  0.666  0.158  1.0
  Ti  Ti1  1  0.293  0.348  0.378  1.0
  Co  Co2  1  0.028  0.983  0.972  1.0
  Co  Co3  1  0.686  0.653  0.661  1.0
  O  O4  1  0.002  0.496  0.220  1.0
  O  O5  1  0.349  0.821  0.582  1.0
  O  O6  1  0.694  0.149  0.914  1.0
  O  O7  1  0.324  0.836  0.136  1.0
  O  O8  1  0.633  0.180  0.409  1.0
  O  O9  1  0.988  0.502  0.748  1.0
[/CIF]
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The compound described by MgTi(CoO3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form MgO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(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 7-27°. Ti(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(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 are 20°. 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  a cornercorner with one Mg(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(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 are 27°. 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 corners with four equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(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 7-13°. 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 Ti(1), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to two equivalent Ti(1) and one Co(2) atom. In the third O site, O(3) is bonded to two equivalent Mg(1), one Co(1), and two equivalent Co(2) atoms to form OMg2Co3 square pyramids that share corners with four equivalent O(5)Mg2TiCo2 square pyramids, edges with two equivalent O(3)Mg2Co3 square pyramids, and edges with two equivalent O(5)Mg2TiCo2 square pyramids. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Ti(1), and one Co(1) atom. In the fifth O site, O(5) is bonded to two equivalent Mg(1), one Ti(1), and two equivalent Co(2) atoms to form OMg2TiCo2 square pyramids that share corners with four equivalent O(3)Mg2Co3 square pyramids, edges with two equivalent O(3)Mg2Co3 square pyramids, and edges with two equivalent O(5)Mg2TiCo2 square pyramids. 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_MgTi(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.414
_cell_length_b   3.028
_cell_length_c   5.908
_cell_angle_alpha   90.009
_cell_angle_beta   102.108
_cell_angle_gamma   76.370
_symmetry_Int_Tables_number   1
_cell_volume   108.882
_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  0.660  0.666  0.158  1.0
  Ti  Ti1  1  0.293  0.348  0.378  1.0
  Co  Co2  1  0.028  0.983  0.972  1.0
  Co  Co3  1  0.686  0.653  0.661  1.0
  O  O4  1  0.002  0.496  0.220  1.0
  O  O5  1  0.349  0.821  0.582  1.0
  O  O6  1  0.694  0.149  0.914  1.0
  O  O7  1  0.324  0.836  0.136  1.0
  O  O8  1  0.633  0.180  0.409  1.0
  O  O9  1  0.988  0.502  0.748  1.0
[/CIF]
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