The material structure described by Zr2Ni2Sn crystallizes in the tetragonal P4_2/mnm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 10-coordinate geometry to six equivalent Ni(1) and four equivalent Sn(1) atoms. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to six equivalent Ni(1) and four equivalent Sn(1) atoms. Ni(1) is bonded in a 6-coordinate geometry to three equivalent Zr(1), three equivalent Zr(2), and two equivalent Sn(1) atoms. Sn(1) is bonded to four equivalent Zr(1), four equivalent Zr(2), and four equivalent Ni(1) atoms to form a mixture of distorted face and corner-sharing SnZr8Ni4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr2Ni2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.111
_cell_length_b   7.111
_cell_length_c   6.854
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   346.603
_cell_formula_units_Z   4
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  0.183  0.183  0.000  1.0
  Zr  Zr1  1  0.683  0.317  0.500  1.0
  Zr  Zr2  1  0.317  0.683  0.500  1.0
  Zr  Zr3  1  0.817  0.817  0.000  1.0
  Zr  Zr4  1  0.655  0.345  0.000  1.0
  Zr  Zr5  1  0.845  0.845  0.500  1.0
  Zr  Zr6  1  0.155  0.155  0.500  1.0
  Zr  Zr7  1  0.345  0.655  0.000  1.0
  Ni  Ni8  1  0.375  0.375  0.285  1.0
  Ni  Ni9  1  0.875  0.125  0.785  1.0
  Ni  Ni10  1  0.125  0.875  0.785  1.0
  Ni  Ni11  1  0.625  0.625  0.285  1.0
  Ni  Ni12  1  0.125  0.875  0.215  1.0
  Ni  Ni13  1  0.875  0.125  0.215  1.0
  Ni  Ni14  1  0.375  0.375  0.715  1.0
  Ni  Ni15  1  0.625  0.625  0.715  1.0
  Sn  Sn16  1  0.500  0.000  0.250  1.0
  Sn  Sn17  1  0.500  0.000  0.750  1.0
  Sn  Sn18  1  0.000  0.500  0.250  1.0
  Sn  Sn19  1  0.000  0.500  0.750  1.0
[/CIF]
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The material structure described by Zr2Ni2Sn crystallizes in the tetragonal P4_2/mnm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 10-coordinate geometry to six equivalent Ni(1) and four equivalent Sn(1) atoms. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to six equivalent Ni(1) and four equivalent Sn(1) atoms. Ni(1) is bonded in a 6-coordinate geometry to three equivalent Zr(1), three equivalent Zr(2), and two equivalent Sn(1) atoms. Sn(1) is bonded to four equivalent Zr(1), four equivalent Zr(2), and four equivalent Ni(1) atoms to form a mixture of distorted face and corner-sharing SnZr8Ni4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr2Ni2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.111
_cell_length_b   7.111
_cell_length_c   6.854
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   346.603
_cell_formula_units_Z   4
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  0.183  0.183  0.000  1.0
  Zr  Zr1  1  0.683  0.317  0.500  1.0
  Zr  Zr2  1  0.317  0.683  0.500  1.0
  Zr  Zr3  1  0.817  0.817  0.000  1.0
  Zr  Zr4  1  0.655  0.345  0.000  1.0
  Zr  Zr5  1  0.845  0.845  0.500  1.0
  Zr  Zr6  1  0.155  0.155  0.500  1.0
  Zr  Zr7  1  0.345  0.655  0.000  1.0
  Ni  Ni8  1  0.375  0.375  0.285  1.0
  Ni  Ni9  1  0.875  0.125  0.785  1.0
  Ni  Ni10  1  0.125  0.875  0.785  1.0
  Ni  Ni11  1  0.625  0.625  0.285  1.0
  Ni  Ni12  1  0.125  0.875  0.215  1.0
  Ni  Ni13  1  0.875  0.125  0.215  1.0
  Ni  Ni14  1  0.375  0.375  0.715  1.0
  Ni  Ni15  1  0.625  0.625  0.715  1.0
  Sn  Sn16  1  0.500  0.000  0.250  1.0
  Sn  Sn17  1  0.500  0.000  0.750  1.0
  Sn  Sn18  1  0.000  0.500  0.250  1.0
  Sn  Sn19  1  0.000  0.500  0.750  1.0
[/CIF]
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