The compound described by K2TlO2Cl5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), two equivalent Cl(2), two equivalent Cl(3), and two equivalent Cl(5) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent Cl(1), two equivalent Cl(4), and two equivalent Cl(5) atoms. Tl(1) is bonded to one Cl(2), one Cl(3), one Cl(4), one Cl(5), and two equivalent Cl(1) atoms to form edge-sharing TlCl6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one K(1), two equivalent K(2), and one Cl(3) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1) and one Cl(4) atom. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to two equivalent K(2) and two equivalent Tl(1) atoms. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Tl(1) atom. In the third Cl site, Cl(3) is bonded in a 4-coordinate geometry to two equivalent K(1), one Tl(1), and one O(1) atom. In the fourth Cl site, Cl(4) is bonded to two equivalent K(2), one Tl(1), and one O(2) atom to form distorted corner-sharing ClK2TlO trigonal pyramids. In the fifth Cl site, Cl(5) is bonded in a 5-coordinate geometry to two equivalent K(1), two equivalent K(2), and one Tl(1) atom. is represented by the CIF file [CIF]
data_K2TlCl5O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.839
_cell_length_b   8.533
_cell_length_c   9.885
_cell_angle_alpha   89.473
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1082.892
_cell_formula_units_Z   4
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
  K  K0  1  0.179  0.519  0.589  1.0
  K  K1  1  0.679  0.981  0.411  1.0
  K  K2  1  0.821  0.481  0.411  1.0
  K  K3  1  0.321  0.019  0.589  1.0
  K  K4  1  0.856  0.425  0.965  1.0
  K  K5  1  0.356  0.075  0.035  1.0
  K  K6  1  0.144  0.575  0.035  1.0
  K  K7  1  0.644  0.925  0.965  1.0
  Tl  Tl8  1  0.486  0.475  0.792  1.0
  Tl  Tl9  1  0.986  0.025  0.208  1.0
  Tl  Tl10  1  0.514  0.525  0.208  1.0
  Tl  Tl11  1  0.014  0.975  0.792  1.0
  Cl  Cl12  1  0.062  0.189  0.984  1.0
  Cl  Cl13  1  0.562  0.311  0.016  1.0
  Cl  Cl14  1  0.938  0.811  0.016  1.0
  Cl  Cl15  1  0.438  0.689  0.984  1.0
  Cl  Cl16  1  0.084  0.148  0.601  1.0
  Cl  Cl17  1  0.584  0.352  0.399  1.0
  Cl  Cl18  1  0.916  0.852  0.399  1.0
  Cl  Cl19  1  0.416  0.648  0.601  1.0
  Cl  Cl20  1  0.961  0.677  0.682  1.0
  Cl  Cl21  1  0.461  0.823  0.318  1.0
  Cl  Cl22  1  0.039  0.323  0.318  1.0
  Cl  Cl23  1  0.539  0.177  0.682  1.0
  Cl  Cl24  1  0.824  0.085  0.771  1.0
  Cl  Cl25  1  0.324  0.415  0.229  1.0
  Cl  Cl26  1  0.176  0.915  0.229  1.0
  Cl  Cl27  1  0.676  0.585  0.771  1.0
  Cl  Cl28  1  0.194  0.841  0.823  1.0
  Cl  Cl29  1  0.694  0.659  0.177  1.0
  Cl  Cl30  1  0.806  0.159  0.177  1.0
  Cl  Cl31  1  0.306  0.341  0.823  1.0
  O  O32  1  0.005  0.547  0.788  1.0
  O  O33  1  0.505  0.953  0.212  1.0
  O  O34  1  0.995  0.453  0.212  1.0
  O  O35  1  0.495  0.047  0.788  1.0
  O  O36  1  0.786  0.203  0.556  1.0
  O  O37  1  0.286  0.297  0.444  1.0
  O  O38  1  0.214  0.797  0.444  1.0
  O  O39  1  0.714  0.703  0.556  1.0
[/CIF]
.
The compound described by K2TlO2Cl5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), two equivalent Cl(2), two equivalent Cl(3), and two equivalent Cl(5) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent Cl(1), two equivalent Cl(4), and two equivalent Cl(5) atoms. Tl(1) is bonded to one Cl(2), one Cl(3), one Cl(4), one Cl(5), and two equivalent Cl(1) atoms to form edge-sharing TlCl6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one K(1), two equivalent K(2), and one Cl(3) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1) and one Cl(4) atom. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to two equivalent K(2) and two equivalent Tl(1) atoms. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Tl(1) atom. In the third Cl site, Cl(3) is bonded in a 4-coordinate geometry to two equivalent K(1), one Tl(1), and one O(1) atom. In the fourth Cl site, Cl(4) is bonded to two equivalent K(2), one Tl(1), and one O(2) atom to form distorted corner-sharing ClK2TlO trigonal pyramids. In the fifth Cl site, Cl(5) is bonded in a 5-coordinate geometry to two equivalent K(1), two equivalent K(2), and one Tl(1) atom. is represented by the CIF file [CIF]
data_K2TlCl5O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.839
_cell_length_b   8.533
_cell_length_c   9.885
_cell_angle_alpha   89.473
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1082.892
_cell_formula_units_Z   4
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
  K  K0  1  0.179  0.519  0.589  1.0
  K  K1  1  0.679  0.981  0.411  1.0
  K  K2  1  0.821  0.481  0.411  1.0
  K  K3  1  0.321  0.019  0.589  1.0
  K  K4  1  0.856  0.425  0.965  1.0
  K  K5  1  0.356  0.075  0.035  1.0
  K  K6  1  0.144  0.575  0.035  1.0
  K  K7  1  0.644  0.925  0.965  1.0
  Tl  Tl8  1  0.486  0.475  0.792  1.0
  Tl  Tl9  1  0.986  0.025  0.208  1.0
  Tl  Tl10  1  0.514  0.525  0.208  1.0
  Tl  Tl11  1  0.014  0.975  0.792  1.0
  Cl  Cl12  1  0.062  0.189  0.984  1.0
  Cl  Cl13  1  0.562  0.311  0.016  1.0
  Cl  Cl14  1  0.938  0.811  0.016  1.0
  Cl  Cl15  1  0.438  0.689  0.984  1.0
  Cl  Cl16  1  0.084  0.148  0.601  1.0
  Cl  Cl17  1  0.584  0.352  0.399  1.0
  Cl  Cl18  1  0.916  0.852  0.399  1.0
  Cl  Cl19  1  0.416  0.648  0.601  1.0
  Cl  Cl20  1  0.961  0.677  0.682  1.0
  Cl  Cl21  1  0.461  0.823  0.318  1.0
  Cl  Cl22  1  0.039  0.323  0.318  1.0
  Cl  Cl23  1  0.539  0.177  0.682  1.0
  Cl  Cl24  1  0.824  0.085  0.771  1.0
  Cl  Cl25  1  0.324  0.415  0.229  1.0
  Cl  Cl26  1  0.176  0.915  0.229  1.0
  Cl  Cl27  1  0.676  0.585  0.771  1.0
  Cl  Cl28  1  0.194  0.841  0.823  1.0
  Cl  Cl29  1  0.694  0.659  0.177  1.0
  Cl  Cl30  1  0.806  0.159  0.177  1.0
  Cl  Cl31  1  0.306  0.341  0.823  1.0
  O  O32  1  0.005  0.547  0.788  1.0
  O  O33  1  0.505  0.953  0.212  1.0
  O  O34  1  0.995  0.453  0.212  1.0
  O  O35  1  0.495  0.047  0.788  1.0
  O  O36  1  0.786  0.203  0.556  1.0
  O  O37  1  0.286  0.297  0.444  1.0
  O  O38  1  0.214  0.797  0.444  1.0
  O  O39  1  0.714  0.703  0.556  1.0
[/CIF]
.