The material structure described by Zr4Ni is Iron carbide-like structured and crystallizes in the cubic Fd-3m space group. The structure is zero-dimensional and consists of eight Zr4Ni clusters. Zr(1) is bonded in a single-bond geometry to one Ni(1) atom. Ni(1) is bonded in a tetrahedral geometry to four equivalent Zr(1) atoms. is represented by the CIF card [CIF]
data_Zr4Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.936
_cell_length_b   6.936
_cell_length_c   6.936
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   235.986
_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  0.610  0.610  0.610  1.0
  Zr  Zr1  1  0.170  0.610  0.610  1.0
  Zr  Zr2  1  0.610  0.170  0.610  1.0
  Zr  Zr3  1  0.580  0.140  0.140  1.0
  Zr  Zr4  1  0.140  0.140  0.140  1.0
  Zr  Zr5  1  0.610  0.610  0.170  1.0
  Zr  Zr6  1  0.140  0.580  0.140  1.0
  Zr  Zr7  1  0.140  0.140  0.580  1.0
  Ni  Ni8  1  0.000  0.000  0.000  1.0
  Ni  Ni9  1  0.750  0.750  0.750  1.0
[/CIF]
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The material structure described by Zr4Ni is Iron carbide-like structured and crystallizes in the cubic Fd-3m space group. The structure is zero-dimensional and consists of eight Zr4Ni clusters. Zr(1) is bonded in a single-bond geometry to one Ni(1) atom. Ni(1) is bonded in a tetrahedral geometry to four equivalent Zr(1) atoms. is represented by the CIF card [CIF]
data_Zr4Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.936
_cell_length_b   6.936
_cell_length_c   6.936
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   235.986
_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  0.610  0.610  0.610  1.0
  Zr  Zr1  1  0.170  0.610  0.610  1.0
  Zr  Zr2  1  0.610  0.170  0.610  1.0
  Zr  Zr3  1  0.580  0.140  0.140  1.0
  Zr  Zr4  1  0.140  0.140  0.140  1.0
  Zr  Zr5  1  0.610  0.610  0.170  1.0
  Zr  Zr6  1  0.140  0.580  0.140  1.0
  Zr  Zr7  1  0.140  0.140  0.580  1.0
  Ni  Ni8  1  0.000  0.000  0.000  1.0
  Ni  Ni9  1  0.750  0.750  0.750  1.0
[/CIF]
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