The crystal structure described by K3IrSnCl8 crystallizes in the orthorhombic Pmn2_1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 9-coordinate geometry to one Cl(1), one Cl(2), one Cl(6), two equivalent Cl(3), two equivalent Cl(4), and two equivalent Cl(5) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to one Cl(1), one Cl(3), one Cl(6), two equivalent Cl(4), and four equivalent Cl(2) atoms. Ir(1) is bonded in an octahedral geometry to one Sn(1), one Cl(1), one Cl(3), one Cl(5), and two equivalent Cl(4) atoms. Sn(1) is bonded in a distorted rectangular see-saw-like geometry to one Ir(1), one Cl(6), and two equivalent Cl(2) atoms. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a rectangular see-saw-like geometry to one K(2), two equivalent K(1), and one Ir(1) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one Sn(1) atom. In the third Cl site, Cl(3) is bonded to one K(2), four equivalent K(1), and one Ir(1) atom to form distorted corner-sharing ClK5Ir octahedra. The corner-sharing octahedral tilt angles are 43°. In the fourth Cl site, Cl(4) is bonded in a rectangular see-saw-like geometry to one K(2), two equivalent K(1), and one Ir(1) atom. In the fifth Cl site, Cl(5) is bonded in a 5-coordinate geometry to four equivalent K(1) and one Ir(1) atom. In the sixth Cl site, Cl(6) is bonded in a distorted rectangular see-saw-like geometry to one K(2), two equivalent K(1), and one Sn(1) atom. is represented by the CIF file [CIF]
data_K3SnIrCl8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.049
_cell_length_b   9.686
_cell_length_c   9.735
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   758.928
_cell_formula_units_Z   2
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  0.935  0.241  0.373  1.0
  K  K1  1  0.435  0.259  0.627  1.0
  K  K2  1  0.935  0.759  0.373  1.0
  K  K3  1  0.003  0.000  0.862  1.0
  K  K4  1  0.503  0.500  0.138  1.0
  K  K5  1  0.435  0.741  0.627  1.0
  Sn  Sn6  1  0.520  0.000  0.096  1.0
  Sn  Sn7  1  0.020  0.500  0.904  1.0
  Ir  Ir8  1  0.841  0.500  0.690  1.0
  Ir  Ir9  1  0.341  0.000  0.310  1.0
  Cl  Cl10  1  0.586  0.500  0.812  1.0
  Cl  Cl11  1  0.216  0.688  0.933  1.0
  Cl  Cl12  1  0.716  0.188  0.067  1.0
  Cl  Cl13  1  0.183  0.000  0.526  1.0
  Cl  Cl14  1  0.683  0.500  0.474  1.0
  Cl  Cl15  1  0.836  0.746  0.686  1.0
  Cl  Cl16  1  0.086  0.000  0.188  1.0
  Cl  Cl17  1  0.097  0.500  0.563  1.0
  Cl  Cl18  1  0.716  0.812  0.067  1.0
  Cl  Cl19  1  0.426  0.000  0.857  1.0
  Cl  Cl20  1  0.216  0.312  0.933  1.0
  Cl  Cl21  1  0.597  0.000  0.437  1.0
  Cl  Cl22  1  0.926  0.500  0.143  1.0
  Cl  Cl23  1  0.836  0.254  0.686  1.0
  Cl  Cl24  1  0.336  0.754  0.314  1.0
  Cl  Cl25  1  0.336  0.246  0.314  1.0
[/CIF]
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The crystal structure described by K3IrSnCl8 crystallizes in the orthorhombic Pmn2_1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 9-coordinate geometry to one Cl(1), one Cl(2), one Cl(6), two equivalent Cl(3), two equivalent Cl(4), and two equivalent Cl(5) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to one Cl(1), one Cl(3), one Cl(6), two equivalent Cl(4), and four equivalent Cl(2) atoms. Ir(1) is bonded in an octahedral geometry to one Sn(1), one Cl(1), one Cl(3), one Cl(5), and two equivalent Cl(4) atoms. Sn(1) is bonded in a distorted rectangular see-saw-like geometry to one Ir(1), one Cl(6), and two equivalent Cl(2) atoms. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a rectangular see-saw-like geometry to one K(2), two equivalent K(1), and one Ir(1) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one Sn(1) atom. In the third Cl site, Cl(3) is bonded to one K(2), four equivalent K(1), and one Ir(1) atom to form distorted corner-sharing ClK5Ir octahedra. The corner-sharing octahedral tilt angles are 43°. In the fourth Cl site, Cl(4) is bonded in a rectangular see-saw-like geometry to one K(2), two equivalent K(1), and one Ir(1) atom. In the fifth Cl site, Cl(5) is bonded in a 5-coordinate geometry to four equivalent K(1) and one Ir(1) atom. In the sixth Cl site, Cl(6) is bonded in a distorted rectangular see-saw-like geometry to one K(2), two equivalent K(1), and one Sn(1) atom. is represented by the CIF file [CIF]
data_K3SnIrCl8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.049
_cell_length_b   9.686
_cell_length_c   9.735
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   758.928
_cell_formula_units_Z   2
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  0.935  0.241  0.373  1.0
  K  K1  1  0.435  0.259  0.627  1.0
  K  K2  1  0.935  0.759  0.373  1.0
  K  K3  1  0.003  0.000  0.862  1.0
  K  K4  1  0.503  0.500  0.138  1.0
  K  K5  1  0.435  0.741  0.627  1.0
  Sn  Sn6  1  0.520  0.000  0.096  1.0
  Sn  Sn7  1  0.020  0.500  0.904  1.0
  Ir  Ir8  1  0.841  0.500  0.690  1.0
  Ir  Ir9  1  0.341  0.000  0.310  1.0
  Cl  Cl10  1  0.586  0.500  0.812  1.0
  Cl  Cl11  1  0.216  0.688  0.933  1.0
  Cl  Cl12  1  0.716  0.188  0.067  1.0
  Cl  Cl13  1  0.183  0.000  0.526  1.0
  Cl  Cl14  1  0.683  0.500  0.474  1.0
  Cl  Cl15  1  0.836  0.746  0.686  1.0
  Cl  Cl16  1  0.086  0.000  0.188  1.0
  Cl  Cl17  1  0.097  0.500  0.563  1.0
  Cl  Cl18  1  0.716  0.812  0.067  1.0
  Cl  Cl19  1  0.426  0.000  0.857  1.0
  Cl  Cl20  1  0.216  0.312  0.933  1.0
  Cl  Cl21  1  0.597  0.000  0.437  1.0
  Cl  Cl22  1  0.926  0.500  0.143  1.0
  Cl  Cl23  1  0.836  0.254  0.686  1.0
  Cl  Cl24  1  0.336  0.754  0.314  1.0
  Cl  Cl25  1  0.336  0.246  0.314  1.0
[/CIF]
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