The material described by Li2Cu3Zn is Cubic Laves-derived structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded in a 12-coordinate geometry to nine equivalent Cu(1) and three equivalent Zn(1) atoms. Cu(1) is bonded to six equivalent Li(1), four equivalent Cu(1), and two equivalent Zn(1) atoms to form CuLi6Zn2Cu4 cuboctahedra that share corners with four equivalent Zn(1)Li6Cu6 cuboctahedra, corners with fourteen equivalent Cu(1)Li6Zn2Cu4 cuboctahedra, edges with six equivalent Cu(1)Li6Zn2Cu4 cuboctahedra, faces with six equivalent Zn(1)Li6Cu6 cuboctahedra, and faces with twelve equivalent Cu(1)Li6Zn2Cu4 cuboctahedra. Zn(1) is bonded to six equivalent Li(1) and six equivalent Cu(1) atoms to form ZnLi6Cu6 cuboctahedra that share corners with six equivalent Zn(1)Li6Cu6 cuboctahedra, corners with twelve equivalent Cu(1)Li6Zn2Cu4 cuboctahedra, edges with six equivalent Zn(1)Li6Cu6 cuboctahedra, and faces with eighteen equivalent Cu(1)Li6Zn2Cu4 cuboctahedra. is represented by the CIF card [CIF]
data_Li2ZnCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.913
_cell_length_b   4.913
_cell_length_c   4.913
_cell_angle_alpha   59.331
_cell_angle_beta   59.331
_cell_angle_gamma   59.331
_symmetry_Int_Tables_number   1
_cell_volume   82.575
_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  0.123  0.123  0.123  1.0
  Li  Li1  1  0.877  0.877  0.877  1.0
  Zn  Zn2  1  0.500  0.500  0.500  1.0
  Cu  Cu3  1  0.500  0.000  0.500  1.0
  Cu  Cu4  1  0.000  0.500  0.500  1.0
  Cu  Cu5  1  0.500  0.500  0.000  1.0
[/CIF]
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The material described by Li2Cu3Zn is Cubic Laves-derived structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded in a 12-coordinate geometry to nine equivalent Cu(1) and three equivalent Zn(1) atoms. Cu(1) is bonded to six equivalent Li(1), four equivalent Cu(1), and two equivalent Zn(1) atoms to form CuLi6Zn2Cu4 cuboctahedra that share corners with four equivalent Zn(1)Li6Cu6 cuboctahedra, corners with fourteen equivalent Cu(1)Li6Zn2Cu4 cuboctahedra, edges with six equivalent Cu(1)Li6Zn2Cu4 cuboctahedra, faces with six equivalent Zn(1)Li6Cu6 cuboctahedra, and faces with twelve equivalent Cu(1)Li6Zn2Cu4 cuboctahedra. Zn(1) is bonded to six equivalent Li(1) and six equivalent Cu(1) atoms to form ZnLi6Cu6 cuboctahedra that share corners with six equivalent Zn(1)Li6Cu6 cuboctahedra, corners with twelve equivalent Cu(1)Li6Zn2Cu4 cuboctahedra, edges with six equivalent Zn(1)Li6Cu6 cuboctahedra, and faces with eighteen equivalent Cu(1)Li6Zn2Cu4 cuboctahedra. is represented by the CIF card [CIF]
data_Li2ZnCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.913
_cell_length_b   4.913
_cell_length_c   4.913
_cell_angle_alpha   59.331
_cell_angle_beta   59.331
_cell_angle_gamma   59.331
_symmetry_Int_Tables_number   1
_cell_volume   82.575
_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  0.123  0.123  0.123  1.0
  Li  Li1  1  0.877  0.877  0.877  1.0
  Zn  Zn2  1  0.500  0.500  0.500  1.0
  Cu  Cu3  1  0.500  0.000  0.500  1.0
  Cu  Cu4  1  0.000  0.500  0.500  1.0
  Cu  Cu5  1  0.500  0.500  0.000  1.0
[/CIF]
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