The material described by MgTi2(CoO3)2 crystallizes in the trigonal R-3 space group. Mg(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. Ti(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Co(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. O(1) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Ti(1), and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_MgTi2(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.783
_cell_length_b   5.783
_cell_length_c   5.783
_cell_angle_alpha   53.563
_cell_angle_beta   53.563
_cell_angle_gamma   53.563
_symmetry_Int_Tables_number   1
_cell_volume   116.175
_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  0.000  0.000  0.000  1.0
  Ti  Ti1  1  0.813  0.813  0.813  1.0
  Ti  Ti2  1  0.187  0.187  0.187  1.0
  Co  Co3  1  0.643  0.643  0.643  1.0
  Co  Co4  1  0.357  0.357  0.357  1.0
  O  O5  1  0.590  0.944  0.202  1.0
  O  O6  1  0.202  0.590  0.944  1.0
  O  O7  1  0.944  0.202  0.590  1.0
  O  O8  1  0.410  0.056  0.798  1.0
  O  O9  1  0.798  0.410  0.056  1.0
  O  O10  1  0.056  0.798  0.410  1.0
[/CIF]
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The material described by MgTi2(CoO3)2 crystallizes in the trigonal R-3 space group. Mg(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. Ti(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Co(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. O(1) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Ti(1), and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_MgTi2(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.783
_cell_length_b   5.783
_cell_length_c   5.783
_cell_angle_alpha   53.563
_cell_angle_beta   53.563
_cell_angle_gamma   53.563
_symmetry_Int_Tables_number   1
_cell_volume   116.175
_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  0.000  0.000  0.000  1.0
  Ti  Ti1  1  0.813  0.813  0.813  1.0
  Ti  Ti2  1  0.187  0.187  0.187  1.0
  Co  Co3  1  0.643  0.643  0.643  1.0
  Co  Co4  1  0.357  0.357  0.357  1.0
  O  O5  1  0.590  0.944  0.202  1.0
  O  O6  1  0.202  0.590  0.944  1.0
  O  O7  1  0.944  0.202  0.590  1.0
  O  O8  1  0.410  0.056  0.798  1.0
  O  O9  1  0.798  0.410  0.056  1.0
  O  O10  1  0.056  0.798  0.410  1.0
[/CIF]
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