The material structure described by Li3(ZnSn2)2 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to six equivalent Sn(2) atoms. In the second Li site, Li(2) is bonded in a 10-coordinate geometry to three equivalent Zn(1), three equivalent Sn(2), and four equivalent Sn(1) atoms. Zn(1) is bonded to three equivalent Li(2), one Sn(1), and three equivalent Sn(2) atoms to form distorted edge-sharing ZnLi3Sn4 hexagonal pyramids. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 8-coordinate geometry to four equivalent Li(2), one Zn(1), and three equivalent Sn(1) atoms. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to three equivalent Li(1), three equivalent Li(2), three equivalent Zn(1), and one Sn(2) atom. is represented by the CIF file [CIF]
data_Li3(ZnSn2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.498
_cell_length_b   4.498
_cell_length_c   22.150
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   388.101
_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  0.333  0.667  0.250  1.0
  Li  Li1  1  0.667  0.333  0.750  1.0
  Li  Li2  1  0.333  0.667  0.393  1.0
  Li  Li3  1  0.667  0.333  0.607  1.0
  Li  Li4  1  0.667  0.333  0.893  1.0
  Li  Li5  1  0.333  0.667  0.107  1.0
  Zn  Zn6  1  0.333  0.667  0.848  1.0
  Zn  Zn7  1  0.667  0.333  0.152  1.0
  Zn  Zn8  1  0.667  0.333  0.348  1.0
  Zn  Zn9  1  0.333  0.667  0.652  1.0
  Sn  Sn10  1  0.333  0.667  0.971  1.0
  Sn  Sn11  1  0.667  0.333  0.029  1.0
  Sn  Sn12  1  0.667  0.333  0.471  1.0
  Sn  Sn13  1  0.333  0.667  0.529  1.0
  Sn  Sn14  1  0.000  0.000  0.317  1.0
  Sn  Sn15  1  0.000  0.000  0.683  1.0
  Sn  Sn16  1  0.000  0.000  0.817  1.0
  Sn  Sn17  1  0.000  0.000  0.183  1.0
[/CIF]
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The material structure described by Li3(ZnSn2)2 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to six equivalent Sn(2) atoms. In the second Li site, Li(2) is bonded in a 10-coordinate geometry to three equivalent Zn(1), three equivalent Sn(2), and four equivalent Sn(1) atoms. Zn(1) is bonded to three equivalent Li(2), one Sn(1), and three equivalent Sn(2) atoms to form distorted edge-sharing ZnLi3Sn4 hexagonal pyramids. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 8-coordinate geometry to four equivalent Li(2), one Zn(1), and three equivalent Sn(1) atoms. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to three equivalent Li(1), three equivalent Li(2), three equivalent Zn(1), and one Sn(2) atom. is represented by the CIF file [CIF]
data_Li3(ZnSn2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.498
_cell_length_b   4.498
_cell_length_c   22.150
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   388.101
_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  0.333  0.667  0.250  1.0
  Li  Li1  1  0.667  0.333  0.750  1.0
  Li  Li2  1  0.333  0.667  0.393  1.0
  Li  Li3  1  0.667  0.333  0.607  1.0
  Li  Li4  1  0.667  0.333  0.893  1.0
  Li  Li5  1  0.333  0.667  0.107  1.0
  Zn  Zn6  1  0.333  0.667  0.848  1.0
  Zn  Zn7  1  0.667  0.333  0.152  1.0
  Zn  Zn8  1  0.667  0.333  0.348  1.0
  Zn  Zn9  1  0.333  0.667  0.652  1.0
  Sn  Sn10  1  0.333  0.667  0.971  1.0
  Sn  Sn11  1  0.667  0.333  0.029  1.0
  Sn  Sn12  1  0.667  0.333  0.471  1.0
  Sn  Sn13  1  0.333  0.667  0.529  1.0
  Sn  Sn14  1  0.000  0.000  0.317  1.0
  Sn  Sn15  1  0.000  0.000  0.683  1.0
  Sn  Sn16  1  0.000  0.000  0.817  1.0
  Sn  Sn17  1  0.000  0.000  0.183  1.0
[/CIF]
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