The material structure described by KTcCl3 crystallizes in the monoclinic Cc space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one Cl(1), one Cl(2), one Cl(4), one Cl(5), two equivalent Cl(3), and two equivalent Cl(6) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one Cl(1), one Cl(2), one Cl(5), one Cl(6), and two equivalent Cl(3) atoms. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 5-coordinate geometry to one Tc(2), one Cl(1), one Cl(3), one Cl(4), and one Cl(5) atom. In the second Tc site, Tc(2) is bonded in a 5-coordinate geometry to one Tc(1), one Cl(2), one Cl(4), one Cl(5), and one Cl(6) atom. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted T-shaped geometry to one K(1), one K(2), and one Tc(1) atom. In the second Cl site, Cl(2) is bonded in a distorted T-shaped geometry to one K(1), one K(2), and one Tc(2) atom. In the third Cl site, Cl(3) is bonded in a 5-coordinate geometry to two equivalent K(1), two equivalent K(2), and one Tc(1) atom. In the fourth Cl site, Cl(4) is bonded in a distorted T-shaped geometry to one K(1), one Tc(1), and one Tc(2) atom. In the fifth Cl site, Cl(5) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Tc(1), and one Tc(2) atom. In the sixth Cl site, Cl(6) is bonded in a 4-coordinate geometry to one K(2), two equivalent K(1), and one Tc(2) atom. is represented by the CIF file [CIF]
data_KTcCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.330
_cell_length_b   8.330
_cell_length_c   9.060
_cell_angle_alpha   86.368
_cell_angle_beta   86.368
_cell_angle_gamma   118.290
_symmetry_Int_Tables_number   1
_cell_volume   549.344
_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  0.447  0.115  0.604  1.0
  K  K1  1  0.115  0.447  0.104  1.0
  K  K2  1  0.506  0.171  0.107  1.0
  K  K3  1  0.171  0.506  0.607  1.0
  Tc  Tc4  1  0.776  0.680  0.791  1.0
  Tc  Tc5  1  0.680  0.776  0.291  1.0
  Tc  Tc6  1  0.955  0.856  0.932  1.0
  Tc  Tc7  1  0.856  0.955  0.432  1.0
  Cl  Cl8  1  0.488  0.515  0.943  1.0
  Cl  Cl9  1  0.515  0.488  0.443  1.0
  Cl  Cl10  1  0.125  0.149  0.788  1.0
  Cl  Cl11  1  0.149  0.125  0.288  1.0
  Cl  Cl12  1  0.800  0.401  0.821  1.0
  Cl  Cl13  1  0.401  0.800  0.321  1.0
  Cl  Cl14  1  0.662  0.869  0.667  1.0
  Cl  Cl15  1  0.869  0.662  0.167  1.0
  Cl  Cl16  1  0.769  0.973  0.057  1.0
  Cl  Cl17  1  0.973  0.769  0.557  1.0
  Cl  Cl18  1  0.824  0.229  0.396  1.0
  Cl  Cl19  1  0.229  0.824  0.896  1.0
[/CIF]
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The material structure described by KTcCl3 crystallizes in the monoclinic Cc space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one Cl(1), one Cl(2), one Cl(4), one Cl(5), two equivalent Cl(3), and two equivalent Cl(6) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one Cl(1), one Cl(2), one Cl(5), one Cl(6), and two equivalent Cl(3) atoms. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 5-coordinate geometry to one Tc(2), one Cl(1), one Cl(3), one Cl(4), and one Cl(5) atom. In the second Tc site, Tc(2) is bonded in a 5-coordinate geometry to one Tc(1), one Cl(2), one Cl(4), one Cl(5), and one Cl(6) atom. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted T-shaped geometry to one K(1), one K(2), and one Tc(1) atom. In the second Cl site, Cl(2) is bonded in a distorted T-shaped geometry to one K(1), one K(2), and one Tc(2) atom. In the third Cl site, Cl(3) is bonded in a 5-coordinate geometry to two equivalent K(1), two equivalent K(2), and one Tc(1) atom. In the fourth Cl site, Cl(4) is bonded in a distorted T-shaped geometry to one K(1), one Tc(1), and one Tc(2) atom. In the fifth Cl site, Cl(5) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Tc(1), and one Tc(2) atom. In the sixth Cl site, Cl(6) is bonded in a 4-coordinate geometry to one K(2), two equivalent K(1), and one Tc(2) atom. is represented by the CIF file [CIF]
data_KTcCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.330
_cell_length_b   8.330
_cell_length_c   9.060
_cell_angle_alpha   86.368
_cell_angle_beta   86.368
_cell_angle_gamma   118.290
_symmetry_Int_Tables_number   1
_cell_volume   549.344
_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  0.447  0.115  0.604  1.0
  K  K1  1  0.115  0.447  0.104  1.0
  K  K2  1  0.506  0.171  0.107  1.0
  K  K3  1  0.171  0.506  0.607  1.0
  Tc  Tc4  1  0.776  0.680  0.791  1.0
  Tc  Tc5  1  0.680  0.776  0.291  1.0
  Tc  Tc6  1  0.955  0.856  0.932  1.0
  Tc  Tc7  1  0.856  0.955  0.432  1.0
  Cl  Cl8  1  0.488  0.515  0.943  1.0
  Cl  Cl9  1  0.515  0.488  0.443  1.0
  Cl  Cl10  1  0.125  0.149  0.788  1.0
  Cl  Cl11  1  0.149  0.125  0.288  1.0
  Cl  Cl12  1  0.800  0.401  0.821  1.0
  Cl  Cl13  1  0.401  0.800  0.321  1.0
  Cl  Cl14  1  0.662  0.869  0.667  1.0
  Cl  Cl15  1  0.869  0.662  0.167  1.0
  Cl  Cl16  1  0.769  0.973  0.057  1.0
  Cl  Cl17  1  0.973  0.769  0.557  1.0
  Cl  Cl18  1  0.824  0.229  0.396  1.0
  Cl  Cl19  1  0.229  0.824  0.896  1.0
[/CIF]
.