The material described by Li(PdSn3)2 is Khatyrkite-derived structured and crystallizes in the tetragonal P4/mbm space group. Li(1) is bonded in a distorted q6 geometry to two equivalent Pd(1) and eight equivalent Sn(2) atoms. Pd(1) is bonded in a 9-coordinate geometry to one Li(1), four equivalent Sn(1), and four equivalent Sn(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 4-coordinate geometry to four equivalent Pd(1) atoms. In the second Sn site, Sn(2) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Pd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li(Sn3Pd)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.685
_cell_length_b   6.685
_cell_length_c   8.711
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   389.294
_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
  Li  Li0  1  0.000  0.000  0.500  1.0
  Li  Li1  1  0.500  0.500  0.500  1.0
  Sn  Sn2  1  0.837  0.337  0.000  1.0
  Sn  Sn3  1  0.659  0.159  0.320  1.0
  Sn  Sn4  1  0.341  0.841  0.320  1.0
  Sn  Sn5  1  0.159  0.341  0.680  1.0
  Sn  Sn6  1  0.159  0.341  0.320  1.0
  Sn  Sn7  1  0.341  0.841  0.680  1.0
  Sn  Sn8  1  0.663  0.837  0.000  1.0
  Sn  Sn9  1  0.163  0.663  0.000  1.0
  Sn  Sn10  1  0.337  0.163  0.000  1.0
  Sn  Sn11  1  0.659  0.159  0.680  1.0
  Sn  Sn12  1  0.841  0.659  0.320  1.0
  Sn  Sn13  1  0.841  0.659  0.680  1.0
  Pd  Pd14  1  0.500  0.500  0.179  1.0
  Pd  Pd15  1  0.500  0.500  0.821  1.0
  Pd  Pd16  1  0.000  0.000  0.179  1.0
  Pd  Pd17  1  0.000  0.000  0.821  1.0
[/CIF]
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The material described by Li(PdSn3)2 is Khatyrkite-derived structured and crystallizes in the tetragonal P4/mbm space group. Li(1) is bonded in a distorted q6 geometry to two equivalent Pd(1) and eight equivalent Sn(2) atoms. Pd(1) is bonded in a 9-coordinate geometry to one Li(1), four equivalent Sn(1), and four equivalent Sn(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 4-coordinate geometry to four equivalent Pd(1) atoms. In the second Sn site, Sn(2) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Pd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li(Sn3Pd)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.685
_cell_length_b   6.685
_cell_length_c   8.711
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   389.294
_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
  Li  Li0  1  0.000  0.000  0.500  1.0
  Li  Li1  1  0.500  0.500  0.500  1.0
  Sn  Sn2  1  0.837  0.337  0.000  1.0
  Sn  Sn3  1  0.659  0.159  0.320  1.0
  Sn  Sn4  1  0.341  0.841  0.320  1.0
  Sn  Sn5  1  0.159  0.341  0.680  1.0
  Sn  Sn6  1  0.159  0.341  0.320  1.0
  Sn  Sn7  1  0.341  0.841  0.680  1.0
  Sn  Sn8  1  0.663  0.837  0.000  1.0
  Sn  Sn9  1  0.163  0.663  0.000  1.0
  Sn  Sn10  1  0.337  0.163  0.000  1.0
  Sn  Sn11  1  0.659  0.159  0.680  1.0
  Sn  Sn12  1  0.841  0.659  0.320  1.0
  Sn  Sn13  1  0.841  0.659  0.680  1.0
  Pd  Pd14  1  0.500  0.500  0.179  1.0
  Pd  Pd15  1  0.500  0.500  0.821  1.0
  Pd  Pd16  1  0.000  0.000  0.179  1.0
  Pd  Pd17  1  0.000  0.000  0.821  1.0
[/CIF]
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