The material described by MgTl2(CoO3)2 is Orthorhombic Perovskite-derived structured and crystallizes in the trigonal R-3 space group. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Co(1)O6 octahedra and faces with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. Co(1) is bonded to six equivalent O(1) atoms to form distorted CoO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. Tl(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 Co(1), and two equivalent Tl(1) atoms. is represented by the CIF file [CIF]
data_MgTl2(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.497
_cell_length_b   6.028
_cell_length_c   5.497
_cell_angle_alpha   117.128
_cell_angle_beta   60.000
_cell_angle_gamma   117.128
_symmetry_Int_Tables_number   1
_cell_volume   134.089
_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  0.500  1.0
  Tl  Tl1  1  0.121  0.363  0.121  1.0
  Tl  Tl2  1  0.879  0.637  0.879  1.0
  Co  Co3  1  0.324  0.973  0.324  1.0
  Co  Co4  1  0.676  0.027  0.676  1.0
  O  O5  1  0.088  0.241  0.470  1.0
  O  O6  1  0.470  0.241  0.683  1.0
  O  O7  1  0.683  0.241  0.088  1.0
  O  O8  1  0.317  0.759  0.912  1.0
  O  O9  1  0.530  0.759  0.317  1.0
  O  O10  1  0.912  0.759  0.530  1.0
[/CIF]
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The material described by MgTl2(CoO3)2 is Orthorhombic Perovskite-derived structured and crystallizes in the trigonal R-3 space group. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Co(1)O6 octahedra and faces with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. Co(1) is bonded to six equivalent O(1) atoms to form distorted CoO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. Tl(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 Co(1), and two equivalent Tl(1) atoms. is represented by the CIF file [CIF]
data_MgTl2(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.497
_cell_length_b   6.028
_cell_length_c   5.497
_cell_angle_alpha   117.128
_cell_angle_beta   60.000
_cell_angle_gamma   117.128
_symmetry_Int_Tables_number   1
_cell_volume   134.089
_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  0.500  1.0
  Tl  Tl1  1  0.121  0.363  0.121  1.0
  Tl  Tl2  1  0.879  0.637  0.879  1.0
  Co  Co3  1  0.324  0.973  0.324  1.0
  Co  Co4  1  0.676  0.027  0.676  1.0
  O  O5  1  0.088  0.241  0.470  1.0
  O  O6  1  0.470  0.241  0.683  1.0
  O  O7  1  0.683  0.241  0.088  1.0
  O  O8  1  0.317  0.759  0.912  1.0
  O  O9  1  0.530  0.759  0.317  1.0
  O  O10  1  0.912  0.759  0.530  1.0
[/CIF]
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