The material structure described by Ni3Zn22 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted q6 geometry to one Zn(3), one Zn(5), one Zn(6), two equivalent Zn(1), two equivalent Zn(2), and four equivalent Zn(8) atoms. In the second Ni site, Ni(2) is bonded in a cuboctahedral geometry to two equivalent Zn(3), two equivalent Zn(4), four equivalent Zn(1), and four equivalent Zn(7) atoms. There are eight inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 2-coordinate geometry to one Ni(1), one Ni(2), one Zn(2), one Zn(4), one Zn(5), one Zn(6), and two equivalent Zn(7) atoms. In the second Zn site, Zn(2) is bonded in a 11-coordinate geometry to two equivalent Ni(1), one Zn(2), two equivalent Zn(1), two equivalent Zn(4), two equivalent Zn(5), and two equivalent Zn(8) atoms. In the third Zn site, Zn(3) is bonded in a distorted linear geometry to one Ni(1), one Ni(2), one Zn(4), one Zn(5), and two equivalent Zn(7) atoms. In the fourth Zn site, Zn(4) is bonded in a 11-coordinate geometry to one Ni(2), one Zn(3), one Zn(4), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(7), and two equivalent Zn(8) atoms. In the fifth Zn site, Zn(5) is bonded in a 13-coordinate geometry to one Ni(1), one Zn(3), one Zn(6), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(8), and four equivalent Zn(7) atoms. In the sixth Zn site, Zn(6) is bonded in a 10-coordinate geometry to one Ni(1), one Zn(5), two equivalent Zn(1), two equivalent Zn(8), and four equivalent Zn(7) atoms. In the seventh Zn site, Zn(7) is bonded in a 12-coordinate geometry to one Ni(2), one Zn(3), one Zn(4), one Zn(8), two equivalent Zn(1), two equivalent Zn(5), two equivalent Zn(6), and two equivalent Zn(7) atoms. In the eighth Zn site, Zn(8) is bonded in a 2-coordinate geometry to two equivalent Ni(1), one Zn(2), one Zn(4), one Zn(5), one Zn(6), and one Zn(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn22Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.325
_cell_length_b   7.571
_cell_length_c   7.548
_cell_angle_alpha   108.491
_cell_angle_beta   119.024
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   341.116
_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
  Zn  Zn0  1  0.655  0.311  0.915  1.0
  Zn  Zn1  1  0.345  0.689  0.085  1.0
  Zn  Zn2  1  0.741  0.689  0.085  1.0
  Zn  Zn3  1  0.259  0.311  0.915  1.0
  Zn  Zn4  1  0.324  1.000  0.000  1.0
  Zn  Zn5  1  0.676  0.000  1.000  1.0
  Zn  Zn6  1  0.169  0.783  0.339  1.0
  Zn  Zn7  1  0.831  0.217  0.661  1.0
  Zn  Zn8  1  0.021  0.175  0.043  1.0
  Zn  Zn9  1  0.979  0.825  0.957  1.0
  Zn  Zn10  1  0.649  0.274  0.299  1.0
  Zn  Zn11  1  0.351  0.726  0.701  1.0
  Zn  Zn12  1  0.315  0.376  0.629  1.0
  Zn  Zn13  1  0.685  0.624  0.371  1.0
  Zn  Zn14  1  0.337  0.462  0.314  1.0
  Zn  Zn15  1  0.663  0.538  0.686  1.0
  Zn  Zn16  1  0.023  0.538  0.686  1.0
  Zn  Zn17  1  0.977  0.462  0.314  1.0
  Zn  Zn18  1  0.382  0.098  0.384  1.0
  Zn  Zn19  1  0.618  0.902  0.616  1.0
  Zn  Zn20  1  0.998  0.902  0.616  1.0
  Zn  Zn21  1  0.002  0.098  0.384  1.0
  Ni  Ni22  1  0.343  0.054  0.685  1.0
  Ni  Ni23  1  0.657  0.946  0.315  1.0
  Ni  Ni24  1  1.000  0.500  0.000  1.0
[/CIF]
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The material structure described by Ni3Zn22 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted q6 geometry to one Zn(3), one Zn(5), one Zn(6), two equivalent Zn(1), two equivalent Zn(2), and four equivalent Zn(8) atoms. In the second Ni site, Ni(2) is bonded in a cuboctahedral geometry to two equivalent Zn(3), two equivalent Zn(4), four equivalent Zn(1), and four equivalent Zn(7) atoms. There are eight inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 2-coordinate geometry to one Ni(1), one Ni(2), one Zn(2), one Zn(4), one Zn(5), one Zn(6), and two equivalent Zn(7) atoms. In the second Zn site, Zn(2) is bonded in a 11-coordinate geometry to two equivalent Ni(1), one Zn(2), two equivalent Zn(1), two equivalent Zn(4), two equivalent Zn(5), and two equivalent Zn(8) atoms. In the third Zn site, Zn(3) is bonded in a distorted linear geometry to one Ni(1), one Ni(2), one Zn(4), one Zn(5), and two equivalent Zn(7) atoms. In the fourth Zn site, Zn(4) is bonded in a 11-coordinate geometry to one Ni(2), one Zn(3), one Zn(4), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(7), and two equivalent Zn(8) atoms. In the fifth Zn site, Zn(5) is bonded in a 13-coordinate geometry to one Ni(1), one Zn(3), one Zn(6), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(8), and four equivalent Zn(7) atoms. In the sixth Zn site, Zn(6) is bonded in a 10-coordinate geometry to one Ni(1), one Zn(5), two equivalent Zn(1), two equivalent Zn(8), and four equivalent Zn(7) atoms. In the seventh Zn site, Zn(7) is bonded in a 12-coordinate geometry to one Ni(2), one Zn(3), one Zn(4), one Zn(8), two equivalent Zn(1), two equivalent Zn(5), two equivalent Zn(6), and two equivalent Zn(7) atoms. In the eighth Zn site, Zn(8) is bonded in a 2-coordinate geometry to two equivalent Ni(1), one Zn(2), one Zn(4), one Zn(5), one Zn(6), and one Zn(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn22Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.325
_cell_length_b   7.571
_cell_length_c   7.548
_cell_angle_alpha   108.491
_cell_angle_beta   119.024
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   341.116
_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
  Zn  Zn0  1  0.655  0.311  0.915  1.0
  Zn  Zn1  1  0.345  0.689  0.085  1.0
  Zn  Zn2  1  0.741  0.689  0.085  1.0
  Zn  Zn3  1  0.259  0.311  0.915  1.0
  Zn  Zn4  1  0.324  1.000  0.000  1.0
  Zn  Zn5  1  0.676  0.000  1.000  1.0
  Zn  Zn6  1  0.169  0.783  0.339  1.0
  Zn  Zn7  1  0.831  0.217  0.661  1.0
  Zn  Zn8  1  0.021  0.175  0.043  1.0
  Zn  Zn9  1  0.979  0.825  0.957  1.0
  Zn  Zn10  1  0.649  0.274  0.299  1.0
  Zn  Zn11  1  0.351  0.726  0.701  1.0
  Zn  Zn12  1  0.315  0.376  0.629  1.0
  Zn  Zn13  1  0.685  0.624  0.371  1.0
  Zn  Zn14  1  0.337  0.462  0.314  1.0
  Zn  Zn15  1  0.663  0.538  0.686  1.0
  Zn  Zn16  1  0.023  0.538  0.686  1.0
  Zn  Zn17  1  0.977  0.462  0.314  1.0
  Zn  Zn18  1  0.382  0.098  0.384  1.0
  Zn  Zn19  1  0.618  0.902  0.616  1.0
  Zn  Zn20  1  0.998  0.902  0.616  1.0
  Zn  Zn21  1  0.002  0.098  0.384  1.0
  Ni  Ni22  1  0.343  0.054  0.685  1.0
  Ni  Ni23  1  0.657  0.946  0.315  1.0
  Ni  Ni24  1  1.000  0.500  0.000  1.0
[/CIF]
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