The crystal structure described by MgTi(CoO3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(6), two equivalent O(2), and two equivalent O(4) atoms to form MgO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with four equivalent Ti(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 1-28°. 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 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 1-8°. 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  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 distorted 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 28°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1), two equivalent Ti(1), and one Co(2) atom to form a mixture of edge and corner-sharing OMg2Ti2Co square pyramids. 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 Ti(1), and one Co(1) atom to form a mixture of edge and corner-sharing OMg2Ti2Co square pyramids. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Ti(1) and two equivalent Co(2) atoms. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Mg(1), 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   6.460
_cell_length_b   2.980
_cell_length_c   6.018
_cell_angle_alpha   91.696
_cell_angle_beta   101.105
_cell_angle_gamma   76.956
_symmetry_Int_Tables_number   1
_cell_volume   110.732
_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  0.332  0.315  0.833  1.0
  Ti  Ti1  1  0.333  0.409  0.332  1.0
  Co  Co2  1  0.956  0.026  0.029  1.0
  Co  Co3  1  0.709  0.619  0.642  1.0
  O  O4  1  0.025  0.449  0.250  1.0
  O  O5  1  0.333  0.826  0.572  1.0
  O  O6  1  0.661  0.137  0.860  1.0
  O  O7  1  0.332  0.824  0.099  1.0
  O  O8  1  0.640  0.182  0.421  1.0
  O  O9  1  0.004  0.513  0.810  1.0
[/CIF]
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The crystal structure described by MgTi(CoO3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(6), two equivalent O(2), and two equivalent O(4) atoms to form MgO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with four equivalent Ti(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 1-28°. 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 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 1-8°. 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  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 distorted 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 28°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1), two equivalent Ti(1), and one Co(2) atom to form a mixture of edge and corner-sharing OMg2Ti2Co square pyramids. 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 Ti(1), and one Co(1) atom to form a mixture of edge and corner-sharing OMg2Ti2Co square pyramids. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Ti(1) and two equivalent Co(2) atoms. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Mg(1), 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   6.460
_cell_length_b   2.980
_cell_length_c   6.018
_cell_angle_alpha   91.696
_cell_angle_beta   101.105
_cell_angle_gamma   76.956
_symmetry_Int_Tables_number   1
_cell_volume   110.732
_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  0.332  0.315  0.833  1.0
  Ti  Ti1  1  0.333  0.409  0.332  1.0
  Co  Co2  1  0.956  0.026  0.029  1.0
  Co  Co3  1  0.709  0.619  0.642  1.0
  O  O4  1  0.025  0.449  0.250  1.0
  O  O5  1  0.333  0.826  0.572  1.0
  O  O6  1  0.661  0.137  0.860  1.0
  O  O7  1  0.332  0.824  0.099  1.0
  O  O8  1  0.640  0.182  0.421  1.0
  O  O9  1  0.004  0.513  0.810  1.0
[/CIF]
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