The crystal structure described by Ni5Zr crystallizes in the cubic F-43m space group. Zr(1) is bonded in a 16-coordinate geometry to four equivalent Ni(1) and twelve equivalent Ni(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 16-coordinate geometry to four equivalent Zr(1) and twelve equivalent Ni(2) atoms. In the second Ni site, Ni(2) is bonded to three equivalent Zr(1), three equivalent Ni(1), and six equivalent Ni(2) atoms to form a mixture of distorted face, corner, and edge-sharing NiZr3Ni9 cuboctahedra. is represented by the CIF file [CIF]
data_ZrNi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.700
_cell_length_b   4.700
_cell_length_c   4.700
_cell_angle_alpha   60.004
_cell_angle_beta   60.004
_cell_angle_gamma   60.004
_symmetry_Int_Tables_number   1
_cell_volume   73.442
_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
  Zr  Zr0  1  1.000  1.000  0.000  1.0
  Ni  Ni1  1  0.250  0.250  0.250  1.0
  Ni  Ni2  1  0.623  0.623  0.623  1.0
  Ni  Ni3  1  0.623  0.623  0.130  1.0
  Ni  Ni4  1  0.130  0.623  0.623  1.0
  Ni  Ni5  1  0.623  0.130  0.623  1.0
[/CIF]
.
The crystal structure described by Ni5Zr crystallizes in the cubic F-43m space group. Zr(1) is bonded in a 16-coordinate geometry to four equivalent Ni(1) and twelve equivalent Ni(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 16-coordinate geometry to four equivalent Zr(1) and twelve equivalent Ni(2) atoms. In the second Ni site, Ni(2) is bonded to three equivalent Zr(1), three equivalent Ni(1), and six equivalent Ni(2) atoms to form a mixture of distorted face, corner, and edge-sharing NiZr3Ni9 cuboctahedra. is represented by the CIF file [CIF]
data_ZrNi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.700
_cell_length_b   4.700
_cell_length_c   4.700
_cell_angle_alpha   60.004
_cell_angle_beta   60.004
_cell_angle_gamma   60.004
_symmetry_Int_Tables_number   1
_cell_volume   73.442
_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
  Zr  Zr0  1  1.000  1.000  0.000  1.0
  Ni  Ni1  1  0.250  0.250  0.250  1.0
  Ni  Ni2  1  0.623  0.623  0.623  1.0
  Ni  Ni3  1  0.623  0.623  0.130  1.0
  Ni  Ni4  1  0.130  0.623  0.623  1.0
  Ni  Ni5  1  0.623  0.130  0.623  1.0
[/CIF]
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