The crystal structure described by MgTiCo3O8 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share 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(3)O6 octahedra. In the third Co site, Co(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share 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. There are four 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), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(1), one Co(1), and one Co(3) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(1), one Co(2), and one Co(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Co(1), one Co(2), and one Co(3) atom. is represented by the CIF file [CIF]
data_MgTiCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.954
_cell_length_b   5.866
_cell_length_c   5.664
_cell_angle_alpha   60.550
_cell_angle_beta   61.720
_cell_angle_gamma   91.776
_symmetry_Int_Tables_number   1
_cell_volume   142.416
_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  0.500  0.500  0.000  1.0
  Ti  Ti1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.000  0.000  0.500  1.0
  Co  Co3  1  0.000  0.500  0.000  1.0
  Co  Co4  1  0.000  0.500  0.500  1.0
  O  O5  1  0.220  0.219  0.041  1.0
  O  O6  1  0.212  0.259  0.514  1.0
  O  O7  1  0.213  0.730  0.029  1.0
  O  O8  1  0.192  0.714  0.545  1.0
  O  O9  1  0.808  0.286  0.455  1.0
  O  O10  1  0.787  0.270  0.971  1.0
  O  O11  1  0.788  0.741  0.486  1.0
  O  O12  1  0.780  0.781  0.959  1.0
[/CIF]
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The crystal structure described by MgTiCo3O8 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share 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(3)O6 octahedra. In the third Co site, Co(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share 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. There are four 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), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(1), one Co(1), and one Co(3) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(1), one Co(2), and one Co(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Co(1), one Co(2), and one Co(3) atom. is represented by the CIF file [CIF]
data_MgTiCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.954
_cell_length_b   5.866
_cell_length_c   5.664
_cell_angle_alpha   60.550
_cell_angle_beta   61.720
_cell_angle_gamma   91.776
_symmetry_Int_Tables_number   1
_cell_volume   142.416
_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  0.500  0.500  0.000  1.0
  Ti  Ti1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.000  0.000  0.500  1.0
  Co  Co3  1  0.000  0.500  0.000  1.0
  Co  Co4  1  0.000  0.500  0.500  1.0
  O  O5  1  0.220  0.219  0.041  1.0
  O  O6  1  0.212  0.259  0.514  1.0
  O  O7  1  0.213  0.730  0.029  1.0
  O  O8  1  0.192  0.714  0.545  1.0
  O  O9  1  0.808  0.286  0.455  1.0
  O  O10  1  0.787  0.270  0.971  1.0
  O  O11  1  0.788  0.741  0.486  1.0
  O  O12  1  0.780  0.781  0.959  1.0
[/CIF]
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