The crystal structure described by Ba2Mg3Tl2(CoO3)4 crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(1), and four equivalent O(4) atoms. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second Mg site, Mg(2) is bonded in a body-centered cubic geometry to eight equivalent O(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(2) atoms. In the second Co site, Co(2) is bonded in a rectangular see-saw-like geometry to four equivalent O(1) atoms. Tl(1) is bonded to one O(4) and five equivalent O(3) atoms to form a mixture of edge and corner-sharing TlO6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Ba(1), two equivalent Mg(1), and two equivalent Co(2) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Co(1) atoms to form a mixture of distorted edge, face, and corner-sharing OMg4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-69°. In the third O site, O(3) is bonded to one Ba(1) and five equivalent Tl(1) atoms to form a mixture of distorted edge and corner-sharing OBaTl5 octahedra. The corner-sharing octahedral tilt angles are 7°. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one Tl(1) atom. is represented by the CIF file [CIF]
data_Ba2Mg3Tl2(CoO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   21.188
_cell_length_b   21.188
_cell_length_c   21.188
_cell_angle_alpha   169.737
_cell_angle_beta   169.737
_cell_angle_gamma   14.534
_symmetry_Int_Tables_number   1
_cell_volume   301.934
_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
  Ba  Ba0  1  0.155  0.155  0.000  1.0
  Ba  Ba1  1  0.845  0.845  0.000  1.0
  Mg  Mg2  1  0.073  0.073  0.000  1.0
  Mg  Mg3  1  0.927  0.927  0.000  1.0
  Mg  Mg4  1  0.000  0.000  0.000  1.0
  Tl  Tl5  1  0.722  0.722  0.000  1.0
  Tl  Tl6  1  0.278  0.278  0.000  1.0
  Co  Co7  1  0.535  0.535  0.000  1.0
  Co  Co8  1  0.398  0.398  0.000  1.0
  Co  Co9  1  0.602  0.602  0.000  1.0
  Co  Co10  1  0.465  0.465  0.000  1.0
  O  O11  1  0.898  0.398  0.500  1.0
  O  O12  1  0.034  0.534  0.500  1.0
  O  O13  1  0.226  0.226  0.000  1.0
  O  O14  1  0.466  0.966  0.500  1.0
  O  O15  1  0.774  0.774  0.000  1.0
  O  O16  1  0.602  0.102  0.500  1.0
  O  O17  1  0.102  0.602  0.500  1.0
  O  O18  1  0.329  0.329  0.000  1.0
  O  O19  1  0.398  0.898  0.500  1.0
  O  O20  1  0.534  0.034  0.500  1.0
  O  O21  1  0.966  0.466  0.500  1.0
  O  O22  1  0.671  0.671  0.000  1.0
[/CIF]
.
The crystal structure described by Ba2Mg3Tl2(CoO3)4 crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(1), and four equivalent O(4) atoms. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second Mg site, Mg(2) is bonded in a body-centered cubic geometry to eight equivalent O(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(2) atoms. In the second Co site, Co(2) is bonded in a rectangular see-saw-like geometry to four equivalent O(1) atoms. Tl(1) is bonded to one O(4) and five equivalent O(3) atoms to form a mixture of edge and corner-sharing TlO6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Ba(1), two equivalent Mg(1), and two equivalent Co(2) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Co(1) atoms to form a mixture of distorted edge, face, and corner-sharing OMg4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-69°. In the third O site, O(3) is bonded to one Ba(1) and five equivalent Tl(1) atoms to form a mixture of distorted edge and corner-sharing OBaTl5 octahedra. The corner-sharing octahedral tilt angles are 7°. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one Tl(1) atom. is represented by the CIF file [CIF]
data_Ba2Mg3Tl2(CoO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   21.188
_cell_length_b   21.188
_cell_length_c   21.188
_cell_angle_alpha   169.737
_cell_angle_beta   169.737
_cell_angle_gamma   14.534
_symmetry_Int_Tables_number   1
_cell_volume   301.934
_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
  Ba  Ba0  1  0.155  0.155  0.000  1.0
  Ba  Ba1  1  0.845  0.845  0.000  1.0
  Mg  Mg2  1  0.073  0.073  0.000  1.0
  Mg  Mg3  1  0.927  0.927  0.000  1.0
  Mg  Mg4  1  0.000  0.000  0.000  1.0
  Tl  Tl5  1  0.722  0.722  0.000  1.0
  Tl  Tl6  1  0.278  0.278  0.000  1.0
  Co  Co7  1  0.535  0.535  0.000  1.0
  Co  Co8  1  0.398  0.398  0.000  1.0
  Co  Co9  1  0.602  0.602  0.000  1.0
  Co  Co10  1  0.465  0.465  0.000  1.0
  O  O11  1  0.898  0.398  0.500  1.0
  O  O12  1  0.034  0.534  0.500  1.0
  O  O13  1  0.226  0.226  0.000  1.0
  O  O14  1  0.466  0.966  0.500  1.0
  O  O15  1  0.774  0.774  0.000  1.0
  O  O16  1  0.602  0.102  0.500  1.0
  O  O17  1  0.102  0.602  0.500  1.0
  O  O18  1  0.329  0.329  0.000  1.0
  O  O19  1  0.398  0.898  0.500  1.0
  O  O20  1  0.534  0.034  0.500  1.0
  O  O21  1  0.966  0.466  0.500  1.0
  O  O22  1  0.671  0.671  0.000  1.0
[/CIF]
.