The structure described by Li3Pd4Sn11 is Khatyrkite-derived structured and crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted q6 geometry to two equivalent Pd(1), two equivalent Sn(1), two equivalent Sn(2), and four equivalent Sn(3) atoms. In the second Li site, Li(2) is bonded in a 7-coordinate geometry to four equivalent Pd(1), one Sn(4), and two equivalent Sn(1) atoms. Pd(1) is bonded in a 9-coordinate geometry to one Li(1), one Li(2), one Sn(1), one Sn(2), one Sn(4), two equivalent Sn(3), and two equivalent Sn(5) atoms. There are five inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 5-coordinate geometry to one Li(2), two equivalent Li(1), and two 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. In the third Sn site, Sn(3) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Pd(1) atoms. In the fourth Sn site, Sn(4) is bonded in a 5-coordinate geometry to one Li(2) and four equivalent Pd(1) atoms. In the fifth Sn site, Sn(5) is bonded in a 4-coordinate geometry to four equivalent Pd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Sn11Pd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.689
_cell_length_b   6.689
_cell_length_c   8.445
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.760
_symmetry_Int_Tables_number   1
_cell_volume   377.789
_cell_formula_units_Z   1
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  0.500  0.993  0.500  1.0
  Li  Li1  1  0.993  0.500  0.500  1.0
  Li  Li2  1  0.324  0.324  0.000  1.0
  Sn  Sn3  1  0.166  0.166  0.683  1.0
  Sn  Sn4  1  0.850  0.850  0.680  1.0
  Sn  Sn5  1  0.651  0.342  0.683  1.0
  Sn  Sn6  1  0.342  0.651  0.683  1.0
  Sn  Sn7  1  0.850  0.850  0.320  1.0
  Sn  Sn8  1  0.166  0.166  0.317  1.0
  Sn  Sn9  1  0.342  0.651  0.317  1.0
  Sn  Sn10  1  0.651  0.342  0.317  1.0
  Sn  Sn11  1  0.656  0.656  0.000  1.0
  Sn  Sn12  1  0.837  0.170  0.000  1.0
  Sn  Sn13  1  0.170  0.837  0.000  1.0
  Pd  Pd14  1  0.505  0.995  0.816  1.0
  Pd  Pd15  1  0.995  0.505  0.816  1.0
  Pd  Pd16  1  0.505  0.995  0.184  1.0
  Pd  Pd17  1  0.995  0.505  0.184  1.0
[/CIF]
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The structure described by Li3Pd4Sn11 is Khatyrkite-derived structured and crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted q6 geometry to two equivalent Pd(1), two equivalent Sn(1), two equivalent Sn(2), and four equivalent Sn(3) atoms. In the second Li site, Li(2) is bonded in a 7-coordinate geometry to four equivalent Pd(1), one Sn(4), and two equivalent Sn(1) atoms. Pd(1) is bonded in a 9-coordinate geometry to one Li(1), one Li(2), one Sn(1), one Sn(2), one Sn(4), two equivalent Sn(3), and two equivalent Sn(5) atoms. There are five inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 5-coordinate geometry to one Li(2), two equivalent Li(1), and two 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. In the third Sn site, Sn(3) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Pd(1) atoms. In the fourth Sn site, Sn(4) is bonded in a 5-coordinate geometry to one Li(2) and four equivalent Pd(1) atoms. In the fifth Sn site, Sn(5) is bonded in a 4-coordinate geometry to four equivalent Pd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Sn11Pd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.689
_cell_length_b   6.689
_cell_length_c   8.445
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.760
_symmetry_Int_Tables_number   1
_cell_volume   377.789
_cell_formula_units_Z   1
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  0.500  0.993  0.500  1.0
  Li  Li1  1  0.993  0.500  0.500  1.0
  Li  Li2  1  0.324  0.324  0.000  1.0
  Sn  Sn3  1  0.166  0.166  0.683  1.0
  Sn  Sn4  1  0.850  0.850  0.680  1.0
  Sn  Sn5  1  0.651  0.342  0.683  1.0
  Sn  Sn6  1  0.342  0.651  0.683  1.0
  Sn  Sn7  1  0.850  0.850  0.320  1.0
  Sn  Sn8  1  0.166  0.166  0.317  1.0
  Sn  Sn9  1  0.342  0.651  0.317  1.0
  Sn  Sn10  1  0.651  0.342  0.317  1.0
  Sn  Sn11  1  0.656  0.656  0.000  1.0
  Sn  Sn12  1  0.837  0.170  0.000  1.0
  Sn  Sn13  1  0.170  0.837  0.000  1.0
  Pd  Pd14  1  0.505  0.995  0.816  1.0
  Pd  Pd15  1  0.995  0.505  0.816  1.0
  Pd  Pd16  1  0.505  0.995  0.184  1.0
  Pd  Pd17  1  0.995  0.505  0.184  1.0
[/CIF]
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