The material described by K2PbCl6 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 8-coordinate geometry to two equivalent Cl(3), three equivalent Cl(1), and three equivalent Cl(2) atoms. Pb(1) is bonded in an octahedral geometry to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to three equivalent K(1) and one Pb(1) atom to form a mixture of distorted edge and corner-sharing ClK3Pb trigonal pyramids. In the second Cl site, Cl(2) is bonded in a distorted see-saw-like geometry to three equivalent K(1) and one Pb(1) atom. In the third Cl site, Cl(3) is bonded in a trigonal non-coplanar geometry to two equivalent K(1) and one Pb(1) atom. is represented by the CIF card [CIF]
data_K2PbCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.446
_cell_length_b   7.164
_cell_length_c   12.264
_cell_angle_alpha   54.923
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   535.376
_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  0.069  0.729  0.751  1.0
  K  K1  1  0.931  0.271  0.249  1.0
  K  K2  1  0.569  0.271  0.749  1.0
  K  K3  1  0.431  0.729  0.251  1.0
  Pb  Pb4  1  0.500  0.000  0.500  1.0
  Pb  Pb5  1  0.000  0.000  0.000  1.0
  Cl  Cl6  1  0.307  0.670  0.541  1.0
  Cl  Cl7  1  0.693  0.330  0.459  1.0
  Cl  Cl8  1  0.807  0.330  0.959  1.0
  Cl  Cl9  1  0.193  0.670  0.041  1.0
  Cl  Cl10  1  0.785  0.773  0.535  1.0
  Cl  Cl11  1  0.215  0.227  0.465  1.0
  Cl  Cl12  1  0.285  0.227  0.965  1.0
  Cl  Cl13  1  0.715  0.773  0.035  1.0
  Cl  Cl14  1  0.492  0.830  0.747  1.0
  Cl  Cl15  1  0.508  0.170  0.253  1.0
  Cl  Cl16  1  0.992  0.170  0.753  1.0
  Cl  Cl17  1  0.008  0.830  0.247  1.0
[/CIF]
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The material described by K2PbCl6 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 8-coordinate geometry to two equivalent Cl(3), three equivalent Cl(1), and three equivalent Cl(2) atoms. Pb(1) is bonded in an octahedral geometry to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to three equivalent K(1) and one Pb(1) atom to form a mixture of distorted edge and corner-sharing ClK3Pb trigonal pyramids. In the second Cl site, Cl(2) is bonded in a distorted see-saw-like geometry to three equivalent K(1) and one Pb(1) atom. In the third Cl site, Cl(3) is bonded in a trigonal non-coplanar geometry to two equivalent K(1) and one Pb(1) atom. is represented by the CIF card [CIF]
data_K2PbCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.446
_cell_length_b   7.164
_cell_length_c   12.264
_cell_angle_alpha   54.923
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   535.376
_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  0.069  0.729  0.751  1.0
  K  K1  1  0.931  0.271  0.249  1.0
  K  K2  1  0.569  0.271  0.749  1.0
  K  K3  1  0.431  0.729  0.251  1.0
  Pb  Pb4  1  0.500  0.000  0.500  1.0
  Pb  Pb5  1  0.000  0.000  0.000  1.0
  Cl  Cl6  1  0.307  0.670  0.541  1.0
  Cl  Cl7  1  0.693  0.330  0.459  1.0
  Cl  Cl8  1  0.807  0.330  0.959  1.0
  Cl  Cl9  1  0.193  0.670  0.041  1.0
  Cl  Cl10  1  0.785  0.773  0.535  1.0
  Cl  Cl11  1  0.215  0.227  0.465  1.0
  Cl  Cl12  1  0.285  0.227  0.965  1.0
  Cl  Cl13  1  0.715  0.773  0.035  1.0
  Cl  Cl14  1  0.492  0.830  0.747  1.0
  Cl  Cl15  1  0.508  0.170  0.253  1.0
  Cl  Cl16  1  0.992  0.170  0.753  1.0
  Cl  Cl17  1  0.008  0.830  0.247  1.0
[/CIF]
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