The crystal structure described by Nd2NiIn3 crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 12-coordinate geometry to two equivalent Ni(1), two equivalent In(3), four equivalent In(1), and four equivalent In(2) atoms. In the second Nd site, Nd(2) is bonded to four equivalent Ni(1), two equivalent In(1), two equivalent In(2), and four equivalent In(3) atoms to form a mixture of edge and face-sharing NdIn8Ni4 cuboctahedra. Ni(1) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one In(3), and two equivalent In(2) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 9-coordinate geometry to two equivalent Nd(2), four equivalent Nd(1), one In(2), and two equivalent In(3) atoms. In the second In site, In(2) is bonded in a 9-coordinate geometry to two equivalent Nd(2), four equivalent Nd(1), two equivalent Ni(1), and one In(1) atom. In the third In site, In(3) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one Ni(1), and two equivalent In(1) atoms. is represented by the CIF file [CIF]
data_Nd2In3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.829
_cell_length_b   4.769
_cell_length_c   8.280
_cell_angle_alpha   89.993
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   151.209
_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
  Nd  Nd0  1  0.000  1.000  0.028  1.0
  Nd  Nd1  1  0.000  0.500  0.485  1.0
  In  In2  1  0.500  0.500  0.836  1.0
  In  In3  1  0.500  0.500  0.182  1.0
  In  In4  1  0.500  1.000  0.644  1.0
  Ni  Ni5  1  0.500  1.000  0.325  1.0
[/CIF]
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The crystal structure described by Nd2NiIn3 crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 12-coordinate geometry to two equivalent Ni(1), two equivalent In(3), four equivalent In(1), and four equivalent In(2) atoms. In the second Nd site, Nd(2) is bonded to four equivalent Ni(1), two equivalent In(1), two equivalent In(2), and four equivalent In(3) atoms to form a mixture of edge and face-sharing NdIn8Ni4 cuboctahedra. Ni(1) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one In(3), and two equivalent In(2) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 9-coordinate geometry to two equivalent Nd(2), four equivalent Nd(1), one In(2), and two equivalent In(3) atoms. In the second In site, In(2) is bonded in a 9-coordinate geometry to two equivalent Nd(2), four equivalent Nd(1), two equivalent Ni(1), and one In(1) atom. In the third In site, In(3) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one Ni(1), and two equivalent In(1) atoms. is represented by the CIF file [CIF]
data_Nd2In3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.829
_cell_length_b   4.769
_cell_length_c   8.280
_cell_angle_alpha   89.993
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   151.209
_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
  Nd  Nd0  1  0.000  1.000  0.028  1.0
  Nd  Nd1  1  0.000  0.500  0.485  1.0
  In  In2  1  0.500  0.500  0.836  1.0
  In  In3  1  0.500  0.500  0.182  1.0
  In  In4  1  0.500  1.000  0.644  1.0
  Ni  Ni5  1  0.500  1.000  0.325  1.0
[/CIF]
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