The material described by Li3Zn is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to eight equivalent Li(1) and four equivalent Zn(1) atoms to form distorted LiLi8Zn4 cuboctahedra that share corners with four equivalent Zn(1)Li12 cuboctahedra, corners with fourteen equivalent Li(1)Li8Zn4 cuboctahedra, edges with six equivalent Zn(1)Li12 cuboctahedra, edges with twelve equivalent Li(1)Li8Zn4 cuboctahedra, faces with four equivalent Zn(1)Li12 cuboctahedra, and faces with sixteen equivalent Li(1)Li8Zn4 cuboctahedra. Zn(1) is bonded to twelve equivalent Li(1) atoms to form ZnLi12 cuboctahedra that share corners with six equivalent Zn(1)Li12 cuboctahedra, corners with twelve equivalent Li(1)Li8Zn4 cuboctahedra, edges with eighteen equivalent Li(1)Li8Zn4 cuboctahedra, faces with eight equivalent Zn(1)Li12 cuboctahedra, and faces with twelve equivalent Li(1)Li8Zn4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.696
_cell_length_b   5.696
_cell_length_c   4.612
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   129.613
_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  0.172  0.344  0.250  1.0
  Li  Li1  1  0.656  0.828  0.250  1.0
  Li  Li2  1  0.172  0.828  0.250  1.0
  Li  Li3  1  0.828  0.656  0.750  1.0
  Li  Li4  1  0.344  0.172  0.750  1.0
  Li  Li5  1  0.828  0.172  0.750  1.0
  Zn  Zn6  1  0.333  0.667  0.750  1.0
  Zn  Zn7  1  0.667  0.333  0.250  1.0
[/CIF]
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The material described by Li3Zn is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to eight equivalent Li(1) and four equivalent Zn(1) atoms to form distorted LiLi8Zn4 cuboctahedra that share corners with four equivalent Zn(1)Li12 cuboctahedra, corners with fourteen equivalent Li(1)Li8Zn4 cuboctahedra, edges with six equivalent Zn(1)Li12 cuboctahedra, edges with twelve equivalent Li(1)Li8Zn4 cuboctahedra, faces with four equivalent Zn(1)Li12 cuboctahedra, and faces with sixteen equivalent Li(1)Li8Zn4 cuboctahedra. Zn(1) is bonded to twelve equivalent Li(1) atoms to form ZnLi12 cuboctahedra that share corners with six equivalent Zn(1)Li12 cuboctahedra, corners with twelve equivalent Li(1)Li8Zn4 cuboctahedra, edges with eighteen equivalent Li(1)Li8Zn4 cuboctahedra, faces with eight equivalent Zn(1)Li12 cuboctahedra, and faces with twelve equivalent Li(1)Li8Zn4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.696
_cell_length_b   5.696
_cell_length_c   4.612
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   129.613
_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  0.172  0.344  0.250  1.0
  Li  Li1  1  0.656  0.828  0.250  1.0
  Li  Li2  1  0.172  0.828  0.250  1.0
  Li  Li3  1  0.828  0.656  0.750  1.0
  Li  Li4  1  0.344  0.172  0.750  1.0
  Li  Li5  1  0.828  0.172  0.750  1.0
  Zn  Zn6  1  0.333  0.667  0.750  1.0
  Zn  Zn7  1  0.667  0.333  0.250  1.0
[/CIF]
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