The structure described by Ni3In crystallizes in the trigonal R-3m space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent Ni(2), six equivalent Ni(1), and three equivalent In(1) atoms to form distorted NiIn3Ni9 cuboctahedra that share corners with twelve equivalent Ni(1)In3Ni9 cuboctahedra, edges with six equivalent Ni(2)Ni12 cuboctahedra, edges with six equivalent In(1)In6Ni6 cuboctahedra, edges with twelve equivalent Ni(1)In3Ni9 cuboctahedra, faces with six equivalent Ni(1)In3Ni9 cuboctahedra, faces with six equivalent Ni(2)Ni12 cuboctahedra, and faces with six equivalent In(1)In6Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to six equivalent Ni(1) and six equivalent Ni(2) atoms to form NiNi12 cuboctahedra that share corners with six equivalent Ni(2)Ni12 cuboctahedra, corners with six equivalent In(1)In6Ni6 cuboctahedra, edges with six equivalent Ni(2)Ni12 cuboctahedra, edges with six equivalent In(1)In6Ni6 cuboctahedra, edges with twelve equivalent Ni(1)In3Ni9 cuboctahedra, faces with six equivalent Ni(2)Ni12 cuboctahedra, and faces with twelve equivalent Ni(1)In3Ni9 cuboctahedra. In(1) is bonded to six equivalent Ni(1) and six equivalent In(1) atoms to form InIn6Ni6 cuboctahedra that share corners with six equivalent Ni(2)Ni12 cuboctahedra, corners with six equivalent In(1)In6Ni6 cuboctahedra, edges with six equivalent Ni(2)Ni12 cuboctahedra, edges with six equivalent In(1)In6Ni6 cuboctahedra, edges with twelve equivalent Ni(1)In3Ni9 cuboctahedra, faces with six equivalent In(1)In6Ni6 cuboctahedra, and faces with twelve equivalent Ni(1)In3Ni9 cuboctahedra. is represented by the CIF file [CIF]
data_InNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.816
_cell_length_b   2.816
_cell_length_c   8.168
_cell_angle_alpha   90.000
_cell_angle_beta   80.075
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   54.956
_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
  In  In0  1  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.488  0.244  0.268  1.0
  Ni  Ni2  1  0.000  0.500  0.500  1.0
  Ni  Ni3  1  0.512  0.756  0.732  1.0
[/CIF]
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The structure described by Ni3In crystallizes in the trigonal R-3m space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent Ni(2), six equivalent Ni(1), and three equivalent In(1) atoms to form distorted NiIn3Ni9 cuboctahedra that share corners with twelve equivalent Ni(1)In3Ni9 cuboctahedra, edges with six equivalent Ni(2)Ni12 cuboctahedra, edges with six equivalent In(1)In6Ni6 cuboctahedra, edges with twelve equivalent Ni(1)In3Ni9 cuboctahedra, faces with six equivalent Ni(1)In3Ni9 cuboctahedra, faces with six equivalent Ni(2)Ni12 cuboctahedra, and faces with six equivalent In(1)In6Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to six equivalent Ni(1) and six equivalent Ni(2) atoms to form NiNi12 cuboctahedra that share corners with six equivalent Ni(2)Ni12 cuboctahedra, corners with six equivalent In(1)In6Ni6 cuboctahedra, edges with six equivalent Ni(2)Ni12 cuboctahedra, edges with six equivalent In(1)In6Ni6 cuboctahedra, edges with twelve equivalent Ni(1)In3Ni9 cuboctahedra, faces with six equivalent Ni(2)Ni12 cuboctahedra, and faces with twelve equivalent Ni(1)In3Ni9 cuboctahedra. In(1) is bonded to six equivalent Ni(1) and six equivalent In(1) atoms to form InIn6Ni6 cuboctahedra that share corners with six equivalent Ni(2)Ni12 cuboctahedra, corners with six equivalent In(1)In6Ni6 cuboctahedra, edges with six equivalent Ni(2)Ni12 cuboctahedra, edges with six equivalent In(1)In6Ni6 cuboctahedra, edges with twelve equivalent Ni(1)In3Ni9 cuboctahedra, faces with six equivalent In(1)In6Ni6 cuboctahedra, and faces with twelve equivalent Ni(1)In3Ni9 cuboctahedra. is represented by the CIF file [CIF]
data_InNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.816
_cell_length_b   2.816
_cell_length_c   8.168
_cell_angle_alpha   90.000
_cell_angle_beta   80.075
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   54.956
_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
  In  In0  1  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.488  0.244  0.268  1.0
  Ni  Ni2  1  0.000  0.500  0.500  1.0
  Ni  Ni3  1  0.512  0.756  0.732  1.0
[/CIF]
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