The material structure described by K3Tc2O3Cl8 crystallizes in the trigonal P3_121 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to one Cl(4), two equivalent Cl(3), three equivalent Cl(1), and three equivalent Cl(2) atoms. Tc(1) is bonded in a 5-coordinate geometry to one Tc(1), one Cl(1), one Cl(2), one Cl(3), and one Cl(4) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one K(1) and one O(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent O(1) atoms. There are four inequivalent Cl sites. In the first Cl site, Cl(4) is bonded in a distorted single-bond geometry to one K(2) and one Tc(1) atom. In the second Cl site, Cl(1) is bonded in a 5-coordinate geometry to one K(1), three equivalent K(2), and one Tc(1) atom. In the third Cl site, Cl(2) is bonded to one K(1), three equivalent K(2), and one Tc(1) atom to form a mixture of distorted corner and edge-sharing ClK4Tc square pyramids. In the fourth Cl site, Cl(3) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(2), and one Tc(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3Tc2Cl8O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.138
_cell_length_b   13.138
_cell_length_c   8.343
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   1247.269
_cell_formula_units_Z   3
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  0.718  0.000  0.333  1.0
  K  K1  1  0.000  0.718  0.667  1.0
  K  K2  1  0.282  0.282  0.000  1.0
  K  K3  1  0.510  0.181  0.746  1.0
  K  K4  1  0.819  0.329  0.080  1.0
  K  K5  1  0.181  0.510  0.254  1.0
  K  K6  1  0.671  0.490  0.413  1.0
  K  K7  1  0.329  0.819  0.920  1.0
  K  K8  1  0.490  0.671  0.587  1.0
  Tc  Tc9  1  0.083  0.444  0.730  1.0
  Tc  Tc10  1  0.556  0.639  0.063  1.0
  Tc  Tc11  1  0.444  0.083  0.270  1.0
  Tc  Tc12  1  0.361  0.917  0.397  1.0
  Tc  Tc13  1  0.639  0.556  0.937  1.0
  Tc  Tc14  1  0.917  0.361  0.603  1.0
  Cl  Cl15  1  0.204  0.630  0.601  1.0
  Cl  Cl16  1  0.370  0.574  0.935  1.0
  Cl  Cl17  1  0.630  0.204  0.399  1.0
  Cl  Cl18  1  0.426  0.796  0.268  1.0
  Cl  Cl19  1  0.574  0.370  0.065  1.0
  Cl  Cl20  1  0.796  0.426  0.732  1.0
  Cl  Cl21  1  0.500  0.438  0.734  1.0
  Cl  Cl22  1  0.562  0.062  0.067  1.0
  Cl  Cl23  1  0.438  0.500  0.266  1.0
  Cl  Cl24  1  0.938  0.500  0.400  1.0
  Cl  Cl25  1  0.062  0.562  0.933  1.0
  Cl  Cl26  1  0.500  0.938  0.600  1.0
  Cl  Cl27  1  0.053  0.313  0.938  1.0
  Cl  Cl28  1  0.687  0.740  0.271  1.0
  Cl  Cl29  1  0.313  0.053  0.062  1.0
  Cl  Cl30  1  0.260  0.947  0.605  1.0
  Cl  Cl31  1  0.740  0.687  0.729  1.0
  Cl  Cl32  1  0.947  0.260  0.395  1.0
  Cl  Cl33  1  0.196  0.380  0.595  1.0
  Cl  Cl34  1  0.620  0.816  0.929  1.0
  Cl  Cl35  1  0.380  0.196  0.405  1.0
  Cl  Cl36  1  0.184  0.804  0.262  1.0
  Cl  Cl37  1  0.816  0.620  0.071  1.0
  Cl  Cl38  1  0.804  0.184  0.738  1.0
  O  O39  1  0.150  0.093  0.788  1.0
  O  O40  1  0.907  0.058  0.122  1.0
  O  O41  1  0.093  0.150  0.212  1.0
  O  O42  1  0.942  0.850  0.455  1.0
  O  O43  1  0.058  0.907  0.878  1.0
  O  O44  1  0.850  0.942  0.545  1.0
  O  O45  1  0.051  0.000  0.833  1.0
  O  O46  1  0.000  0.051  0.167  1.0
  O  O47  1  0.949  0.949  0.500  1.0
[/CIF]
.
The material structure described by K3Tc2O3Cl8 crystallizes in the trigonal P3_121 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to one Cl(4), two equivalent Cl(3), three equivalent Cl(1), and three equivalent Cl(2) atoms. Tc(1) is bonded in a 5-coordinate geometry to one Tc(1), one Cl(1), one Cl(2), one Cl(3), and one Cl(4) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one K(1) and one O(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent O(1) atoms. There are four inequivalent Cl sites. In the first Cl site, Cl(4) is bonded in a distorted single-bond geometry to one K(2) and one Tc(1) atom. In the second Cl site, Cl(1) is bonded in a 5-coordinate geometry to one K(1), three equivalent K(2), and one Tc(1) atom. In the third Cl site, Cl(2) is bonded to one K(1), three equivalent K(2), and one Tc(1) atom to form a mixture of distorted corner and edge-sharing ClK4Tc square pyramids. In the fourth Cl site, Cl(3) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(2), and one Tc(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3Tc2Cl8O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.138
_cell_length_b   13.138
_cell_length_c   8.343
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   1247.269
_cell_formula_units_Z   3
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  0.718  0.000  0.333  1.0
  K  K1  1  0.000  0.718  0.667  1.0
  K  K2  1  0.282  0.282  0.000  1.0
  K  K3  1  0.510  0.181  0.746  1.0
  K  K4  1  0.819  0.329  0.080  1.0
  K  K5  1  0.181  0.510  0.254  1.0
  K  K6  1  0.671  0.490  0.413  1.0
  K  K7  1  0.329  0.819  0.920  1.0
  K  K8  1  0.490  0.671  0.587  1.0
  Tc  Tc9  1  0.083  0.444  0.730  1.0
  Tc  Tc10  1  0.556  0.639  0.063  1.0
  Tc  Tc11  1  0.444  0.083  0.270  1.0
  Tc  Tc12  1  0.361  0.917  0.397  1.0
  Tc  Tc13  1  0.639  0.556  0.937  1.0
  Tc  Tc14  1  0.917  0.361  0.603  1.0
  Cl  Cl15  1  0.204  0.630  0.601  1.0
  Cl  Cl16  1  0.370  0.574  0.935  1.0
  Cl  Cl17  1  0.630  0.204  0.399  1.0
  Cl  Cl18  1  0.426  0.796  0.268  1.0
  Cl  Cl19  1  0.574  0.370  0.065  1.0
  Cl  Cl20  1  0.796  0.426  0.732  1.0
  Cl  Cl21  1  0.500  0.438  0.734  1.0
  Cl  Cl22  1  0.562  0.062  0.067  1.0
  Cl  Cl23  1  0.438  0.500  0.266  1.0
  Cl  Cl24  1  0.938  0.500  0.400  1.0
  Cl  Cl25  1  0.062  0.562  0.933  1.0
  Cl  Cl26  1  0.500  0.938  0.600  1.0
  Cl  Cl27  1  0.053  0.313  0.938  1.0
  Cl  Cl28  1  0.687  0.740  0.271  1.0
  Cl  Cl29  1  0.313  0.053  0.062  1.0
  Cl  Cl30  1  0.260  0.947  0.605  1.0
  Cl  Cl31  1  0.740  0.687  0.729  1.0
  Cl  Cl32  1  0.947  0.260  0.395  1.0
  Cl  Cl33  1  0.196  0.380  0.595  1.0
  Cl  Cl34  1  0.620  0.816  0.929  1.0
  Cl  Cl35  1  0.380  0.196  0.405  1.0
  Cl  Cl36  1  0.184  0.804  0.262  1.0
  Cl  Cl37  1  0.816  0.620  0.071  1.0
  Cl  Cl38  1  0.804  0.184  0.738  1.0
  O  O39  1  0.150  0.093  0.788  1.0
  O  O40  1  0.907  0.058  0.122  1.0
  O  O41  1  0.093  0.150  0.212  1.0
  O  O42  1  0.942  0.850  0.455  1.0
  O  O43  1  0.058  0.907  0.878  1.0
  O  O44  1  0.850  0.942  0.545  1.0
  O  O45  1  0.051  0.000  0.833  1.0
  O  O46  1  0.000  0.051  0.167  1.0
  O  O47  1  0.949  0.949  0.500  1.0
[/CIF]
.