The material described by Ba2Zn3Tl2(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 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 square co-planar geometry to four equivalent O(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second Zn site, Zn(2) is bonded in a body-centered cubic geometry to eight equivalent O(2) atoms. Tl(1) is bonded to one O(4) and five equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing TlO6 octahedra. The corner-sharing octahedral tilt angles are 9°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), two equivalent Co(2), and two equivalent Zn(1) atoms to form distorted OBa2Zn2Co2 octahedra that share corners with two equivalent O(1)Ba2Zn2Co2 octahedra, corners with two equivalent O(3)BaTl5 octahedra, corners with six equivalent O(2)Zn4Co2 octahedra,  an edgeedge with one O(2)Zn4Co2 octahedra, edges with two equivalent O(1)Ba2Zn2Co2 octahedra, and faces with four equivalent O(1)Ba2Zn2Co2 octahedra. The corner-sharing octahedral tilt angles range from 5-69°. In the second O site, O(2) is bonded to two equivalent Co(1), two equivalent Zn(1), and two equivalent Zn(2) atoms to form distorted OZn4Co2 octahedra that share corners with six equivalent O(1)Ba2Zn2Co2 octahedra, corners with eight equivalent O(2)Zn4Co2 octahedra,  an edgeedge with one O(1)Ba2Zn2Co2 octahedra, edges with three equivalent O(2)Zn4Co2 octahedra, and faces with four equivalent O(2)Zn4Co2 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 distorted OBaTl5 octahedra that share corners with four equivalent O(1)Ba2Zn2Co2 octahedra, corners with four equivalent O(3)BaTl5 octahedra, and edges with eight equivalent O(3)BaTl5 octahedra. The corner-sharing octahedral tilt angles range from 9-42°. 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 Crystallographic Information File (CIF) [CIF]
data_Ba2Tl2Zn3(CoO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.818
_cell_length_b   3.818
_cell_length_c   21.121
_cell_angle_alpha   95.186
_cell_angle_beta   95.186
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   305.413
_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  0.153  0.153  0.306  1.0
  Ba  Ba1  1  0.847  0.847  0.694  1.0
  Tl  Tl2  1  0.722  0.722  0.444  1.0
  Tl  Tl3  1  0.278  0.278  0.556  1.0
  Zn  Zn4  1  0.072  0.072  0.143  1.0
  Zn  Zn5  1  0.928  0.928  0.857  1.0
  Zn  Zn6  1  0.000  0.000  0.000  1.0
  Co  Co7  1  0.535  0.535  0.070  1.0
  Co  Co8  1  0.402  0.402  0.804  1.0
  Co  Co9  1  0.598  0.598  0.196  1.0
  Co  Co10  1  0.465  0.465  0.930  1.0
  O  O11  1  0.397  0.897  0.794  1.0
  O  O12  1  0.534  0.034  0.067  1.0
  O  O13  1  0.227  0.227  0.454  1.0
  O  O14  1  0.966  0.466  0.933  1.0
  O  O15  1  0.773  0.773  0.546  1.0
  O  O16  1  0.103  0.603  0.206  1.0
  O  O17  1  0.603  0.103  0.206  1.0
  O  O18  1  0.328  0.328  0.655  1.0
  O  O19  1  0.897  0.397  0.794  1.0
  O  O20  1  0.034  0.534  0.067  1.0
  O  O21  1  0.466  0.966  0.933  1.0
  O  O22  1  0.672  0.672  0.345  1.0
[/CIF]
.
The material described by Ba2Zn3Tl2(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 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 square co-planar geometry to four equivalent O(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second Zn site, Zn(2) is bonded in a body-centered cubic geometry to eight equivalent O(2) atoms. Tl(1) is bonded to one O(4) and five equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing TlO6 octahedra. The corner-sharing octahedral tilt angles are 9°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), two equivalent Co(2), and two equivalent Zn(1) atoms to form distorted OBa2Zn2Co2 octahedra that share corners with two equivalent O(1)Ba2Zn2Co2 octahedra, corners with two equivalent O(3)BaTl5 octahedra, corners with six equivalent O(2)Zn4Co2 octahedra,  an edgeedge with one O(2)Zn4Co2 octahedra, edges with two equivalent O(1)Ba2Zn2Co2 octahedra, and faces with four equivalent O(1)Ba2Zn2Co2 octahedra. The corner-sharing octahedral tilt angles range from 5-69°. In the second O site, O(2) is bonded to two equivalent Co(1), two equivalent Zn(1), and two equivalent Zn(2) atoms to form distorted OZn4Co2 octahedra that share corners with six equivalent O(1)Ba2Zn2Co2 octahedra, corners with eight equivalent O(2)Zn4Co2 octahedra,  an edgeedge with one O(1)Ba2Zn2Co2 octahedra, edges with three equivalent O(2)Zn4Co2 octahedra, and faces with four equivalent O(2)Zn4Co2 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 distorted OBaTl5 octahedra that share corners with four equivalent O(1)Ba2Zn2Co2 octahedra, corners with four equivalent O(3)BaTl5 octahedra, and edges with eight equivalent O(3)BaTl5 octahedra. The corner-sharing octahedral tilt angles range from 9-42°. 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 Crystallographic Information File (CIF) [CIF]
data_Ba2Tl2Zn3(CoO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.818
_cell_length_b   3.818
_cell_length_c   21.121
_cell_angle_alpha   95.186
_cell_angle_beta   95.186
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   305.413
_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  0.153  0.153  0.306  1.0
  Ba  Ba1  1  0.847  0.847  0.694  1.0
  Tl  Tl2  1  0.722  0.722  0.444  1.0
  Tl  Tl3  1  0.278  0.278  0.556  1.0
  Zn  Zn4  1  0.072  0.072  0.143  1.0
  Zn  Zn5  1  0.928  0.928  0.857  1.0
  Zn  Zn6  1  0.000  0.000  0.000  1.0
  Co  Co7  1  0.535  0.535  0.070  1.0
  Co  Co8  1  0.402  0.402  0.804  1.0
  Co  Co9  1  0.598  0.598  0.196  1.0
  Co  Co10  1  0.465  0.465  0.930  1.0
  O  O11  1  0.397  0.897  0.794  1.0
  O  O12  1  0.534  0.034  0.067  1.0
  O  O13  1  0.227  0.227  0.454  1.0
  O  O14  1  0.966  0.466  0.933  1.0
  O  O15  1  0.773  0.773  0.546  1.0
  O  O16  1  0.103  0.603  0.206  1.0
  O  O17  1  0.603  0.103  0.206  1.0
  O  O18  1  0.328  0.328  0.655  1.0
  O  O19  1  0.897  0.397  0.794  1.0
  O  O20  1  0.034  0.534  0.067  1.0
  O  O21  1  0.466  0.966  0.933  1.0
  O  O22  1  0.672  0.672  0.345  1.0
[/CIF]
.