The material structure described by ZrCu3 crystallizes in the hexagonal P6_3/mmc space group. Zr(1) is bonded to twelve equivalent Cu(1) atoms to form a mixture of face and corner-sharing ZrCu12 cuboctahedra. Cu(1) is bonded in a 12-coordinate geometry to four equivalent Zr(1) and eight equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_ZrCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.656
_cell_length_b   5.656
_cell_length_c   4.244
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   117.562
_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
  Zr  Zr0  1  0.333  0.667  0.750  1.0
  Zr  Zr1  1  0.667  0.333  0.250  1.0
  Cu  Cu2  1  0.151  0.303  0.250  1.0
  Cu  Cu3  1  0.697  0.849  0.250  1.0
  Cu  Cu4  1  0.151  0.849  0.250  1.0
  Cu  Cu5  1  0.849  0.697  0.750  1.0
  Cu  Cu6  1  0.303  0.151  0.750  1.0
  Cu  Cu7  1  0.849  0.151  0.750  1.0
[/CIF]
.
The material structure described by ZrCu3 crystallizes in the hexagonal P6_3/mmc space group. Zr(1) is bonded to twelve equivalent Cu(1) atoms to form a mixture of face and corner-sharing ZrCu12 cuboctahedra. Cu(1) is bonded in a 12-coordinate geometry to four equivalent Zr(1) and eight equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_ZrCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.656
_cell_length_b   5.656
_cell_length_c   4.244
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   117.562
_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
  Zr  Zr0  1  0.333  0.667  0.750  1.0
  Zr  Zr1  1  0.667  0.333  0.250  1.0
  Cu  Cu2  1  0.151  0.303  0.250  1.0
  Cu  Cu3  1  0.697  0.849  0.250  1.0
  Cu  Cu4  1  0.151  0.849  0.250  1.0
  Cu  Cu5  1  0.849  0.697  0.750  1.0
  Cu  Cu6  1  0.303  0.151  0.750  1.0
  Cu  Cu7  1  0.849  0.151  0.750  1.0
[/CIF]
.