The structure described by Zr5Ni4Al crystallizes in the tetragonal P-4n2 space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to six equivalent Ni(1) and two equivalent Al(1) atoms. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to six equivalent Ni(1) and two equivalent Al(1) atoms. In the third Zr site, Zr(3) is bonded in a 4-coordinate geometry to four equivalent Ni(1) and two equivalent Al(1) atoms. Ni(1) is bonded in a 9-coordinate geometry to one Zr(3), three equivalent Zr(1), three equivalent Zr(2), one Ni(1), and one Al(1) atom. Al(1) is bonded in a 14-coordinate geometry to two equivalent Zr(3), four equivalent Zr(1), four equivalent Zr(2), and four equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_Zr5AlNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.240
_cell_length_b   7.240
_cell_length_c   6.613
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   346.640
_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  0.320  0.820  0.250  1.0
  Zr  Zr1  1  0.680  0.180  0.250  1.0
  Zr  Zr2  1  0.180  0.320  0.750  1.0
  Zr  Zr3  1  0.820  0.680  0.750  1.0
  Zr  Zr4  1  0.839  0.661  0.250  1.0
  Zr  Zr5  1  0.161  0.339  0.250  1.0
  Zr  Zr6  1  0.661  0.161  0.750  1.0
  Zr  Zr7  1  0.339  0.839  0.750  1.0
  Zr  Zr8  1  0.000  0.000  0.000  1.0
  Zr  Zr9  1  0.500  0.500  0.500  1.0
  Al  Al10  1  0.000  0.000  0.500  1.0
  Al  Al11  1  0.500  0.500  0.000  1.0
  Ni  Ni12  1  0.125  0.625  0.976  1.0
  Ni  Ni13  1  0.875  0.375  0.976  1.0
  Ni  Ni14  1  0.375  0.125  0.476  1.0
  Ni  Ni15  1  0.625  0.875  0.476  1.0
  Ni  Ni16  1  0.875  0.375  0.524  1.0
  Ni  Ni17  1  0.125  0.625  0.524  1.0
  Ni  Ni18  1  0.625  0.875  0.024  1.0
  Ni  Ni19  1  0.375  0.125  0.024  1.0
[/CIF]
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The structure described by Zr5Ni4Al crystallizes in the tetragonal P-4n2 space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to six equivalent Ni(1) and two equivalent Al(1) atoms. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to six equivalent Ni(1) and two equivalent Al(1) atoms. In the third Zr site, Zr(3) is bonded in a 4-coordinate geometry to four equivalent Ni(1) and two equivalent Al(1) atoms. Ni(1) is bonded in a 9-coordinate geometry to one Zr(3), three equivalent Zr(1), three equivalent Zr(2), one Ni(1), and one Al(1) atom. Al(1) is bonded in a 14-coordinate geometry to two equivalent Zr(3), four equivalent Zr(1), four equivalent Zr(2), and four equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_Zr5AlNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.240
_cell_length_b   7.240
_cell_length_c   6.613
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   346.640
_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  0.320  0.820  0.250  1.0
  Zr  Zr1  1  0.680  0.180  0.250  1.0
  Zr  Zr2  1  0.180  0.320  0.750  1.0
  Zr  Zr3  1  0.820  0.680  0.750  1.0
  Zr  Zr4  1  0.839  0.661  0.250  1.0
  Zr  Zr5  1  0.161  0.339  0.250  1.0
  Zr  Zr6  1  0.661  0.161  0.750  1.0
  Zr  Zr7  1  0.339  0.839  0.750  1.0
  Zr  Zr8  1  0.000  0.000  0.000  1.0
  Zr  Zr9  1  0.500  0.500  0.500  1.0
  Al  Al10  1  0.000  0.000  0.500  1.0
  Al  Al11  1  0.500  0.500  0.000  1.0
  Ni  Ni12  1  0.125  0.625  0.976  1.0
  Ni  Ni13  1  0.875  0.375  0.976  1.0
  Ni  Ni14  1  0.375  0.125  0.476  1.0
  Ni  Ni15  1  0.625  0.875  0.476  1.0
  Ni  Ni16  1  0.875  0.375  0.524  1.0
  Ni  Ni17  1  0.125  0.625  0.524  1.0
  Ni  Ni18  1  0.625  0.875  0.024  1.0
  Ni  Ni19  1  0.375  0.125  0.024  1.0
[/CIF]
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