The material described by K3LiPb4 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted bent 150 degrees geometry to six equivalent Pb(2) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to three equivalent Pb(2) and four equivalent Pb(1) atoms. Li(1) is bonded in a distorted hexagonal planar geometry to two equivalent Pb(2) and four equivalent Pb(1) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to four equivalent K(2), two equivalent Li(1), and two equivalent Pb(2) atoms. In the second Pb site, Pb(2) is bonded in a 10-coordinate geometry to three equivalent K(1), three equivalent K(2), one Li(1), one Pb(2), and two equivalent Pb(1) atoms. is represented by the CIF file [CIF]
data_K3LiPb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.747
_cell_length_b   8.747
_cell_length_c   10.391
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   132.350
_symmetry_Int_Tables_number   1
_cell_volume   587.477
_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  0.226  0.774  0.250  1.0
  K  K1  1  0.774  0.226  0.750  1.0
  K  K2  1  0.611  0.389  0.044  1.0
  K  K3  1  0.389  0.611  0.956  1.0
  K  K4  1  0.389  0.611  0.544  1.0
  K  K5  1  0.611  0.389  0.456  1.0
  Li  Li6  1  0.000  0.000  0.000  1.0
  Li  Li7  1  0.000  0.000  0.500  1.0
  Pb  Pb8  1  0.189  0.261  0.250  1.0
  Pb  Pb9  1  0.811  0.739  0.750  1.0
  Pb  Pb10  1  0.739  0.811  0.250  1.0
  Pb  Pb11  1  0.261  0.189  0.750  1.0
  Pb  Pb12  1  0.827  0.173  0.103  1.0
  Pb  Pb13  1  0.173  0.827  0.897  1.0
  Pb  Pb14  1  0.173  0.827  0.603  1.0
  Pb  Pb15  1  0.827  0.173  0.397  1.0
[/CIF]
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The material described by K3LiPb4 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted bent 150 degrees geometry to six equivalent Pb(2) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to three equivalent Pb(2) and four equivalent Pb(1) atoms. Li(1) is bonded in a distorted hexagonal planar geometry to two equivalent Pb(2) and four equivalent Pb(1) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to four equivalent K(2), two equivalent Li(1), and two equivalent Pb(2) atoms. In the second Pb site, Pb(2) is bonded in a 10-coordinate geometry to three equivalent K(1), three equivalent K(2), one Li(1), one Pb(2), and two equivalent Pb(1) atoms. is represented by the CIF file [CIF]
data_K3LiPb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.747
_cell_length_b   8.747
_cell_length_c   10.391
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   132.350
_symmetry_Int_Tables_number   1
_cell_volume   587.477
_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  0.226  0.774  0.250  1.0
  K  K1  1  0.774  0.226  0.750  1.0
  K  K2  1  0.611  0.389  0.044  1.0
  K  K3  1  0.389  0.611  0.956  1.0
  K  K4  1  0.389  0.611  0.544  1.0
  K  K5  1  0.611  0.389  0.456  1.0
  Li  Li6  1  0.000  0.000  0.000  1.0
  Li  Li7  1  0.000  0.000  0.500  1.0
  Pb  Pb8  1  0.189  0.261  0.250  1.0
  Pb  Pb9  1  0.811  0.739  0.750  1.0
  Pb  Pb10  1  0.739  0.811  0.250  1.0
  Pb  Pb11  1  0.261  0.189  0.750  1.0
  Pb  Pb12  1  0.827  0.173  0.103  1.0
  Pb  Pb13  1  0.173  0.827  0.897  1.0
  Pb  Pb14  1  0.173  0.827  0.603  1.0
  Pb  Pb15  1  0.827  0.173  0.397  1.0
[/CIF]
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