The material structure described by Zr2Ni2In crystallizes in the tetragonal P4/mbm space group. Zr(1) is bonded in a 6-coordinate geometry to six equivalent Ni(1) and four equivalent In(1) atoms. Ni(1) is bonded in a 9-coordinate geometry to six equivalent Zr(1), one Ni(1), and two equivalent In(1) atoms. In(1) is bonded to eight equivalent Zr(1) and four equivalent Ni(1) atoms to form a mixture of distorted corner and face-sharing InZr8Ni4 cuboctahedra. is represented by the CIF file [CIF]
data_Zr2InNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.318
_cell_length_b   7.184
_cell_length_c   7.184
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   171.202
_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  0.500  0.668  0.168  1.0
  Zr  Zr1  1  0.500  0.832  0.668  1.0
  Zr  Zr2  1  0.500  0.168  0.332  1.0
  Zr  Zr3  1  0.500  0.332  0.832  1.0
  In  In4  1  0.000  0.000  0.000  1.0
  In  In5  1  0.000  0.500  0.500  1.0
  Ni  Ni6  1  0.000  0.375  0.125  1.0
  Ni  Ni7  1  0.000  0.875  0.375  1.0
  Ni  Ni8  1  0.000  0.125  0.625  1.0
  Ni  Ni9  1  0.000  0.625  0.875  1.0
[/CIF]
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The material structure described by Zr2Ni2In crystallizes in the tetragonal P4/mbm space group. Zr(1) is bonded in a 6-coordinate geometry to six equivalent Ni(1) and four equivalent In(1) atoms. Ni(1) is bonded in a 9-coordinate geometry to six equivalent Zr(1), one Ni(1), and two equivalent In(1) atoms. In(1) is bonded to eight equivalent Zr(1) and four equivalent Ni(1) atoms to form a mixture of distorted corner and face-sharing InZr8Ni4 cuboctahedra. is represented by the CIF file [CIF]
data_Zr2InNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.318
_cell_length_b   7.184
_cell_length_c   7.184
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   171.202
_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  0.500  0.668  0.168  1.0
  Zr  Zr1  1  0.500  0.832  0.668  1.0
  Zr  Zr2  1  0.500  0.168  0.332  1.0
  Zr  Zr3  1  0.500  0.332  0.832  1.0
  In  In4  1  0.000  0.000  0.000  1.0
  In  In5  1  0.000  0.500  0.500  1.0
  Ni  Ni6  1  0.000  0.375  0.125  1.0
  Ni  Ni7  1  0.000  0.875  0.375  1.0
  Ni  Ni8  1  0.000  0.125  0.625  1.0
  Ni  Ni9  1  0.000  0.625  0.875  1.0
[/CIF]
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