The structure described by Zr6Ni23 crystallizes in the cubic Fm-3m space group. Zr(1) is bonded in a 12-coordinate geometry to four equivalent Ni(2), four equivalent Ni(3), and four equivalent Ni(4) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(4) is bonded in a 12-coordinate geometry to three equivalent Zr(1), three equivalent Ni(2), three equivalent Ni(3), and three equivalent Ni(4) atoms. In the second Ni site, Ni(1) is bonded in a body-centered cubic geometry to eight equivalent Ni(3) atoms. In the third Ni site, Ni(2) is bonded to four equivalent Zr(1), four equivalent Ni(3), and four equivalent Ni(4) atoms to form a mixture of corner and face-sharing NiZr4Ni8 cuboctahedra. In the fourth Ni site, Ni(3) is bonded in a 13-coordinate geometry to three equivalent Zr(1), one Ni(1), three equivalent Ni(2), three equivalent Ni(3), and three equivalent Ni(4) atoms. is represented by the CIF file [CIF]
data_Zr6Ni23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.080
_cell_length_b   8.080
_cell_length_c   8.080
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   373.028
_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  0.713  0.713  0.287  1.0
  Zr  Zr1  1  0.287  0.713  0.287  1.0
  Zr  Zr2  1  0.713  0.287  0.287  1.0
  Zr  Zr3  1  0.287  0.287  0.713  1.0
  Zr  Zr4  1  0.713  0.287  0.713  1.0
  Zr  Zr5  1  0.287  0.713  0.713  1.0
  Ni  Ni6  1  0.000  0.000  0.000  1.0
  Ni  Ni7  1  0.000  0.000  0.500  1.0
  Ni  Ni8  1  0.500  0.000  0.500  1.0
  Ni  Ni9  1  0.000  0.500  0.500  1.0
  Ni  Ni10  1  0.500  0.500  0.000  1.0
  Ni  Ni11  1  0.000  0.500  0.000  1.0
  Ni  Ni12  1  0.500  0.000  0.000  1.0
  Ni  Ni13  1  0.880  0.880  0.360  1.0
  Ni  Ni14  1  0.880  0.360  0.880  1.0
  Ni  Ni15  1  0.360  0.880  0.880  1.0
  Ni  Ni16  1  0.880  0.880  0.880  1.0
  Ni  Ni17  1  0.120  0.120  0.640  1.0
  Ni  Ni18  1  0.120  0.640  0.120  1.0
  Ni  Ni19  1  0.640  0.120  0.120  1.0
  Ni  Ni20  1  0.120  0.120  0.120  1.0
  Ni  Ni21  1  0.671  0.671  0.986  1.0
  Ni  Ni22  1  0.671  0.986  0.671  1.0
  Ni  Ni23  1  0.986  0.671  0.671  1.0
  Ni  Ni24  1  0.671  0.671  0.671  1.0
  Ni  Ni25  1  0.329  0.329  0.014  1.0
  Ni  Ni26  1  0.329  0.014  0.329  1.0
  Ni  Ni27  1  0.014  0.329  0.329  1.0
  Ni  Ni28  1  0.329  0.329  0.329  1.0
[/CIF]
.
The structure described by Zr6Ni23 crystallizes in the cubic Fm-3m space group. Zr(1) is bonded in a 12-coordinate geometry to four equivalent Ni(2), four equivalent Ni(3), and four equivalent Ni(4) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(4) is bonded in a 12-coordinate geometry to three equivalent Zr(1), three equivalent Ni(2), three equivalent Ni(3), and three equivalent Ni(4) atoms. In the second Ni site, Ni(1) is bonded in a body-centered cubic geometry to eight equivalent Ni(3) atoms. In the third Ni site, Ni(2) is bonded to four equivalent Zr(1), four equivalent Ni(3), and four equivalent Ni(4) atoms to form a mixture of corner and face-sharing NiZr4Ni8 cuboctahedra. In the fourth Ni site, Ni(3) is bonded in a 13-coordinate geometry to three equivalent Zr(1), one Ni(1), three equivalent Ni(2), three equivalent Ni(3), and three equivalent Ni(4) atoms. is represented by the CIF file [CIF]
data_Zr6Ni23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.080
_cell_length_b   8.080
_cell_length_c   8.080
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   373.028
_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  0.713  0.713  0.287  1.0
  Zr  Zr1  1  0.287  0.713  0.287  1.0
  Zr  Zr2  1  0.713  0.287  0.287  1.0
  Zr  Zr3  1  0.287  0.287  0.713  1.0
  Zr  Zr4  1  0.713  0.287  0.713  1.0
  Zr  Zr5  1  0.287  0.713  0.713  1.0
  Ni  Ni6  1  0.000  0.000  0.000  1.0
  Ni  Ni7  1  0.000  0.000  0.500  1.0
  Ni  Ni8  1  0.500  0.000  0.500  1.0
  Ni  Ni9  1  0.000  0.500  0.500  1.0
  Ni  Ni10  1  0.500  0.500  0.000  1.0
  Ni  Ni11  1  0.000  0.500  0.000  1.0
  Ni  Ni12  1  0.500  0.000  0.000  1.0
  Ni  Ni13  1  0.880  0.880  0.360  1.0
  Ni  Ni14  1  0.880  0.360  0.880  1.0
  Ni  Ni15  1  0.360  0.880  0.880  1.0
  Ni  Ni16  1  0.880  0.880  0.880  1.0
  Ni  Ni17  1  0.120  0.120  0.640  1.0
  Ni  Ni18  1  0.120  0.640  0.120  1.0
  Ni  Ni19  1  0.640  0.120  0.120  1.0
  Ni  Ni20  1  0.120  0.120  0.120  1.0
  Ni  Ni21  1  0.671  0.671  0.986  1.0
  Ni  Ni22  1  0.671  0.986  0.671  1.0
  Ni  Ni23  1  0.986  0.671  0.671  1.0
  Ni  Ni24  1  0.671  0.671  0.671  1.0
  Ni  Ni25  1  0.329  0.329  0.014  1.0
  Ni  Ni26  1  0.329  0.014  0.329  1.0
  Ni  Ni27  1  0.014  0.329  0.329  1.0
  Ni  Ni28  1  0.329  0.329  0.329  1.0
[/CIF]
.