The material structure described by NiIn3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Ni(1) is bonded to four equivalent In(2) and eight equivalent In(1) atoms to form NiIn12 cuboctahedra that share corners with four equivalent Ni(1)In12 cuboctahedra, corners with eight equivalent In(2)In8Ni4 cuboctahedra, edges with eight equivalent Ni(1)In12 cuboctahedra, edges with sixteen equivalent In(1)In8Ni4 cuboctahedra, faces with four equivalent Ni(1)In12 cuboctahedra, faces with six equivalent In(2)In8Ni4 cuboctahedra, and faces with eight equivalent In(1)In8Ni4 cuboctahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent Ni(1), four equivalent In(1), and four equivalent In(2) atoms to form InIn8Ni4 cuboctahedra that share corners with twelve equivalent In(1)In8Ni4 cuboctahedra, edges with eight equivalent Ni(1)In12 cuboctahedra, edges with eight equivalent In(1)In8Ni4 cuboctahedra, edges with eight equivalent In(2)In8Ni4 cuboctahedra, faces with four equivalent Ni(1)In12 cuboctahedra, faces with four equivalent In(2)In8Ni4 cuboctahedra, and faces with ten equivalent In(1)In8Ni4 cuboctahedra. In the second In site, In(2) is bonded to four equivalent Ni(1) and eight equivalent In(1) atoms to form InIn8Ni4 cuboctahedra that share corners with four equivalent In(2)In8Ni4 cuboctahedra, corners with eight equivalent Ni(1)In12 cuboctahedra, edges with eight equivalent In(2)In8Ni4 cuboctahedra, edges with sixteen equivalent In(1)In8Ni4 cuboctahedra, faces with four equivalent In(2)In8Ni4 cuboctahedra, faces with six equivalent Ni(1)In12 cuboctahedra, and faces with eight equivalent In(1)In8Ni4 cuboctahedra. is represented by the CIF file [CIF]
data_In3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.463
_cell_length_b   5.463
_cell_length_c   5.463
_cell_angle_alpha   133.534
_cell_angle_beta   133.534
_cell_angle_gamma   67.817
_symmetry_Int_Tables_number   1
_cell_volume   84.212
_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  0.750  0.250  0.500  1.0
  In  In1  1  0.250  0.750  0.500  1.0
  In  In2  1  0.500  0.500  0.000  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by NiIn3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Ni(1) is bonded to four equivalent In(2) and eight equivalent In(1) atoms to form NiIn12 cuboctahedra that share corners with four equivalent Ni(1)In12 cuboctahedra, corners with eight equivalent In(2)In8Ni4 cuboctahedra, edges with eight equivalent Ni(1)In12 cuboctahedra, edges with sixteen equivalent In(1)In8Ni4 cuboctahedra, faces with four equivalent Ni(1)In12 cuboctahedra, faces with six equivalent In(2)In8Ni4 cuboctahedra, and faces with eight equivalent In(1)In8Ni4 cuboctahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent Ni(1), four equivalent In(1), and four equivalent In(2) atoms to form InIn8Ni4 cuboctahedra that share corners with twelve equivalent In(1)In8Ni4 cuboctahedra, edges with eight equivalent Ni(1)In12 cuboctahedra, edges with eight equivalent In(1)In8Ni4 cuboctahedra, edges with eight equivalent In(2)In8Ni4 cuboctahedra, faces with four equivalent Ni(1)In12 cuboctahedra, faces with four equivalent In(2)In8Ni4 cuboctahedra, and faces with ten equivalent In(1)In8Ni4 cuboctahedra. In the second In site, In(2) is bonded to four equivalent Ni(1) and eight equivalent In(1) atoms to form InIn8Ni4 cuboctahedra that share corners with four equivalent In(2)In8Ni4 cuboctahedra, corners with eight equivalent Ni(1)In12 cuboctahedra, edges with eight equivalent In(2)In8Ni4 cuboctahedra, edges with sixteen equivalent In(1)In8Ni4 cuboctahedra, faces with four equivalent In(2)In8Ni4 cuboctahedra, faces with six equivalent Ni(1)In12 cuboctahedra, and faces with eight equivalent In(1)In8Ni4 cuboctahedra. is represented by the CIF file [CIF]
data_In3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.463
_cell_length_b   5.463
_cell_length_c   5.463
_cell_angle_alpha   133.534
_cell_angle_beta   133.534
_cell_angle_gamma   67.817
_symmetry_Int_Tables_number   1
_cell_volume   84.212
_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  0.750  0.250  0.500  1.0
  In  In1  1  0.250  0.750  0.500  1.0
  In  In2  1  0.500  0.500  0.000  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
[/CIF]
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