The material described by Cu2Zn is beta-derived structured and crystallizes in the trigonal P-3m1 space group. Cu(1) is bonded to nine equivalent Cu(1) and three equivalent Zn(1) atoms to form CuZn3Cu9 cuboctahedra that share corners with three equivalent Zn(1)Zn6Cu6 cuboctahedra, corners with nine equivalent Cu(1)Zn3Cu9 cuboctahedra, edges with nine equivalent Zn(1)Zn6Cu6 cuboctahedra, edges with fifteen equivalent Cu(1)Zn3Cu9 cuboctahedra, faces with six equivalent Zn(1)Zn6Cu6 cuboctahedra, and faces with twelve equivalent Cu(1)Zn3Cu9 cuboctahedra. Zn(1) is bonded to six equivalent Cu(1) and six equivalent Zn(1) atoms to form ZnZn6Cu6 cuboctahedra that share corners with six equivalent Cu(1)Zn3Cu9 cuboctahedra, corners with six equivalent Zn(1)Zn6Cu6 cuboctahedra, edges with six equivalent Zn(1)Zn6Cu6 cuboctahedra, edges with eighteen equivalent Cu(1)Zn3Cu9 cuboctahedra, faces with six equivalent Zn(1)Zn6Cu6 cuboctahedra, and faces with twelve equivalent Cu(1)Zn3Cu9 cuboctahedra. is represented by the CIF card [CIF]
data_ZnCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.584
_cell_length_b   2.584
_cell_length_c   6.293
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   36.387
_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
  Zn  Zn0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.333  0.667  0.662  1.0
  Cu  Cu2  1  0.667  0.333  0.338  1.0
[/CIF]
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The material described by Cu2Zn is beta-derived structured and crystallizes in the trigonal P-3m1 space group. Cu(1) is bonded to nine equivalent Cu(1) and three equivalent Zn(1) atoms to form CuZn3Cu9 cuboctahedra that share corners with three equivalent Zn(1)Zn6Cu6 cuboctahedra, corners with nine equivalent Cu(1)Zn3Cu9 cuboctahedra, edges with nine equivalent Zn(1)Zn6Cu6 cuboctahedra, edges with fifteen equivalent Cu(1)Zn3Cu9 cuboctahedra, faces with six equivalent Zn(1)Zn6Cu6 cuboctahedra, and faces with twelve equivalent Cu(1)Zn3Cu9 cuboctahedra. Zn(1) is bonded to six equivalent Cu(1) and six equivalent Zn(1) atoms to form ZnZn6Cu6 cuboctahedra that share corners with six equivalent Cu(1)Zn3Cu9 cuboctahedra, corners with six equivalent Zn(1)Zn6Cu6 cuboctahedra, edges with six equivalent Zn(1)Zn6Cu6 cuboctahedra, edges with eighteen equivalent Cu(1)Zn3Cu9 cuboctahedra, faces with six equivalent Zn(1)Zn6Cu6 cuboctahedra, and faces with twelve equivalent Cu(1)Zn3Cu9 cuboctahedra. is represented by the CIF card [CIF]
data_ZnCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.584
_cell_length_b   2.584
_cell_length_c   6.293
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   36.387
_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
  Zn  Zn0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.333  0.667  0.662  1.0
  Cu  Cu2  1  0.667  0.333  0.338  1.0
[/CIF]
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