The material 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 T-shaped geometry to one K(1) and two equivalent K(2) atoms. In the second O site, O(2) is bonded in an L-shaped geometry to two equivalent K(1) atoms. 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 distorted single-bond geometry to two equivalent K(1) and one Tl(1) atom. In the third Cl site, Cl(3) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Tl(1) atom. In the fourth Cl site, Cl(4) is bonded in a 3-coordinate geometry to two equivalent K(2) and one Tl(1) atom. In the fifth Cl site, Cl(5) is bonded to two equivalent K(1), two equivalent K(2), and one Tl(1) atom to form distorted edge-sharing ClK4Tl trigonal bipyramids. is represented by the CIF file [CIF]
data_K2TlCl5O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.063
_cell_length_b   10.211
_cell_length_c   12.825
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   96.326
_symmetry_Int_Tables_number   1
_cell_volume   1049.431
_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  0.483  0.417  0.183  1.0
  K  K1  1  0.017  0.583  0.683  1.0
  K  K2  1  0.517  0.583  0.817  1.0
  K  K3  1  0.983  0.417  0.317  1.0
  K  K4  1  0.581  0.037  0.846  1.0
  K  K5  1  0.919  0.963  0.346  1.0
  K  K6  1  0.419  0.963  0.154  1.0
  K  K7  1  0.081  0.037  0.654  1.0
  Tl  Tl8  1  0.550  0.210  0.500  1.0
  Tl  Tl9  1  0.950  0.790  1.000  1.0
  Tl  Tl10  1  0.450  0.790  0.500  1.0
  Tl  Tl11  1  0.050  0.210  0.000  1.0
  Cl  Cl12  1  0.804  0.003  0.059  1.0
  Cl  Cl13  1  0.696  0.997  0.559  1.0
  Cl  Cl14  1  0.196  0.997  0.941  1.0
  Cl  Cl15  1  0.304  0.003  0.441  1.0
  Cl  Cl16  1  0.826  0.366  0.044  1.0
  Cl  Cl17  1  0.674  0.634  0.544  1.0
  Cl  Cl18  1  0.174  0.634  0.956  1.0
  Cl  Cl19  1  0.326  0.366  0.456  1.0
  Cl  Cl20  1  0.337  0.340  0.952  1.0
  Cl  Cl21  1  0.163  0.660  0.452  1.0
  Cl  Cl22  1  0.663  0.660  0.048  1.0
  Cl  Cl23  1  0.837  0.340  0.548  1.0
  Cl  Cl24  1  0.926  0.222  0.813  1.0
  Cl  Cl25  1  0.574  0.778  0.313  1.0
  Cl  Cl26  1  0.074  0.778  0.187  1.0
  Cl  Cl27  1  0.426  0.222  0.687  1.0
  Cl  Cl28  1  0.154  0.191  0.190  1.0
  Cl  Cl29  1  0.346  0.809  0.690  1.0
  Cl  Cl30  1  0.846  0.809  0.810  1.0
  Cl  Cl31  1  0.654  0.191  0.310  1.0
  O  O32  1  0.552  0.203  0.027  1.0
  O  O33  1  0.948  0.797  0.527  1.0
  O  O34  1  0.448  0.797  0.973  1.0
  O  O35  1  0.052  0.203  0.473  1.0
  O  O36  1  0.805  0.434  0.838  1.0
  O  O37  1  0.695  0.566  0.338  1.0
  O  O38  1  0.195  0.566  0.162  1.0
  O  O39  1  0.305  0.434  0.662  1.0
[/CIF]
.
The material 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 T-shaped geometry to one K(1) and two equivalent K(2) atoms. In the second O site, O(2) is bonded in an L-shaped geometry to two equivalent K(1) atoms. 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 distorted single-bond geometry to two equivalent K(1) and one Tl(1) atom. In the third Cl site, Cl(3) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Tl(1) atom. In the fourth Cl site, Cl(4) is bonded in a 3-coordinate geometry to two equivalent K(2) and one Tl(1) atom. In the fifth Cl site, Cl(5) is bonded to two equivalent K(1), two equivalent K(2), and one Tl(1) atom to form distorted edge-sharing ClK4Tl trigonal bipyramids. is represented by the CIF file [CIF]
data_K2TlCl5O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.063
_cell_length_b   10.211
_cell_length_c   12.825
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   96.326
_symmetry_Int_Tables_number   1
_cell_volume   1049.431
_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  0.483  0.417  0.183  1.0
  K  K1  1  0.017  0.583  0.683  1.0
  K  K2  1  0.517  0.583  0.817  1.0
  K  K3  1  0.983  0.417  0.317  1.0
  K  K4  1  0.581  0.037  0.846  1.0
  K  K5  1  0.919  0.963  0.346  1.0
  K  K6  1  0.419  0.963  0.154  1.0
  K  K7  1  0.081  0.037  0.654  1.0
  Tl  Tl8  1  0.550  0.210  0.500  1.0
  Tl  Tl9  1  0.950  0.790  1.000  1.0
  Tl  Tl10  1  0.450  0.790  0.500  1.0
  Tl  Tl11  1  0.050  0.210  0.000  1.0
  Cl  Cl12  1  0.804  0.003  0.059  1.0
  Cl  Cl13  1  0.696  0.997  0.559  1.0
  Cl  Cl14  1  0.196  0.997  0.941  1.0
  Cl  Cl15  1  0.304  0.003  0.441  1.0
  Cl  Cl16  1  0.826  0.366  0.044  1.0
  Cl  Cl17  1  0.674  0.634  0.544  1.0
  Cl  Cl18  1  0.174  0.634  0.956  1.0
  Cl  Cl19  1  0.326  0.366  0.456  1.0
  Cl  Cl20  1  0.337  0.340  0.952  1.0
  Cl  Cl21  1  0.163  0.660  0.452  1.0
  Cl  Cl22  1  0.663  0.660  0.048  1.0
  Cl  Cl23  1  0.837  0.340  0.548  1.0
  Cl  Cl24  1  0.926  0.222  0.813  1.0
  Cl  Cl25  1  0.574  0.778  0.313  1.0
  Cl  Cl26  1  0.074  0.778  0.187  1.0
  Cl  Cl27  1  0.426  0.222  0.687  1.0
  Cl  Cl28  1  0.154  0.191  0.190  1.0
  Cl  Cl29  1  0.346  0.809  0.690  1.0
  Cl  Cl30  1  0.846  0.809  0.810  1.0
  Cl  Cl31  1  0.654  0.191  0.310  1.0
  O  O32  1  0.552  0.203  0.027  1.0
  O  O33  1  0.948  0.797  0.527  1.0
  O  O34  1  0.448  0.797  0.973  1.0
  O  O35  1  0.052  0.203  0.473  1.0
  O  O36  1  0.805  0.434  0.838  1.0
  O  O37  1  0.695  0.566  0.338  1.0
  O  O38  1  0.195  0.566  0.162  1.0
  O  O39  1  0.305  0.434  0.662  1.0
[/CIF]
.