The material structure described by Ni3In is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to eight Ni(1,1) and four equivalent In(1) atoms to form distorted NiIn4Ni8 cuboctahedra that share corners with four equivalent In(1)Ni12 cuboctahedra; corners with fourteen Ni(1,1)In4Ni8 cuboctahedra; edges with six equivalent In(1)Ni12 cuboctahedra; edges with twelve Ni(1,1)In4Ni8 cuboctahedra; faces with four equivalent In(1)Ni12 cuboctahedra; and faces with sixteen Ni(1,1)In4Ni8 cuboctahedra. In the second Ni site, Ni(1) is bonded to eight Ni(1,1) and four equivalent In(1) atoms to form distorted NiIn4Ni8 cuboctahedra that share corners with four equivalent In(1)Ni12 cuboctahedra; corners with fourteen Ni(1,1)In4Ni8 cuboctahedra; edges with six equivalent In(1)Ni12 cuboctahedra; edges with twelve Ni(1,1)In4Ni8 cuboctahedra; faces with four equivalent In(1)Ni12 cuboctahedra; and faces with sixteen Ni(1,1)In4Ni8 cuboctahedra. In(1) is bonded to twelve Ni(1,1) atoms to form InNi12 cuboctahedra that share corners with six equivalent In(1)Ni12 cuboctahedra; corners with twelve Ni(1,1)In4Ni8 cuboctahedra; edges with eighteen Ni(1,1)In4Ni8 cuboctahedra; faces with eight equivalent In(1)Ni12 cuboctahedra; and faces with twelve Ni(1,1)In4Ni8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_InNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.292
_cell_length_b   5.292
_cell_length_c   4.181
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.997
_symmetry_Int_Tables_number   1
_cell_volume   101.400
_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
  In  In0  1  0.333  0.667  0.250  1.0
  In  In1  1  0.667  0.333  0.750  1.0
  Ni  Ni2  1  0.844  0.156  0.250  1.0
  Ni  Ni3  1  0.844  0.689  0.250  1.0
  Ni  Ni4  1  0.311  0.156  0.250  1.0
  Ni  Ni5  1  0.156  0.844  0.750  1.0
  Ni  Ni6  1  0.156  0.311  0.750  1.0
  Ni  Ni7  1  0.689  0.844  0.750  1.0
[/CIF]
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The material structure described by Ni3In is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to eight Ni(1,1) and four equivalent In(1) atoms to form distorted NiIn4Ni8 cuboctahedra that share corners with four equivalent In(1)Ni12 cuboctahedra; corners with fourteen Ni(1,1)In4Ni8 cuboctahedra; edges with six equivalent In(1)Ni12 cuboctahedra; edges with twelve Ni(1,1)In4Ni8 cuboctahedra; faces with four equivalent In(1)Ni12 cuboctahedra; and faces with sixteen Ni(1,1)In4Ni8 cuboctahedra. In the second Ni site, Ni(1) is bonded to eight Ni(1,1) and four equivalent In(1) atoms to form distorted NiIn4Ni8 cuboctahedra that share corners with four equivalent In(1)Ni12 cuboctahedra; corners with fourteen Ni(1,1)In4Ni8 cuboctahedra; edges with six equivalent In(1)Ni12 cuboctahedra; edges with twelve Ni(1,1)In4Ni8 cuboctahedra; faces with four equivalent In(1)Ni12 cuboctahedra; and faces with sixteen Ni(1,1)In4Ni8 cuboctahedra. In(1) is bonded to twelve Ni(1,1) atoms to form InNi12 cuboctahedra that share corners with six equivalent In(1)Ni12 cuboctahedra; corners with twelve Ni(1,1)In4Ni8 cuboctahedra; edges with eighteen Ni(1,1)In4Ni8 cuboctahedra; faces with eight equivalent In(1)Ni12 cuboctahedra; and faces with twelve Ni(1,1)In4Ni8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_InNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.292
_cell_length_b   5.292
_cell_length_c   4.181
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.997
_symmetry_Int_Tables_number   1
_cell_volume   101.400
_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
  In  In0  1  0.333  0.667  0.250  1.0
  In  In1  1  0.667  0.333  0.750  1.0
  Ni  Ni2  1  0.844  0.156  0.250  1.0
  Ni  Ni3  1  0.844  0.689  0.250  1.0
  Ni  Ni4  1  0.311  0.156  0.250  1.0
  Ni  Ni5  1  0.156  0.844  0.750  1.0
  Ni  Ni6  1  0.156  0.311  0.750  1.0
  Ni  Ni7  1  0.689  0.844  0.750  1.0
[/CIF]
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