The compound described by Nd3NiSi3 crystallizes in the orthorhombic Imm2 space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 7-coordinate geometry to one Si(1), two equivalent Si(3), and four equivalent Si(2) atoms. In the second Nd site, Nd(2) is bonded in a 7-coordinate geometry to two equivalent Ni(1), one Si(2), and four equivalent Si(1) atoms. In the third Nd site, Nd(3) is bonded to four equivalent Ni(1), two equivalent Si(1), two equivalent Si(2), and four equivalent Si(3) atoms to form a mixture of edge and face-sharing NdSi8Ni4 cuboctahedra. Ni(1) is bonded in a 9-coordinate geometry to two equivalent Nd(2), four equivalent Nd(3), one Si(3), and two equivalent Si(1) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Nd(1), two equivalent Nd(3), four equivalent Nd(2), and two equivalent Ni(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Nd(2), two equivalent Nd(3), four equivalent Nd(1), and two equivalent Si(3) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(3), one Ni(1), and two equivalent Si(2) atoms. is represented by the CIF file [CIF]
data_Nd3Si3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.476
_cell_length_b   9.476
_cell_length_c   9.476
_cell_angle_alpha   155.450
_cell_angle_beta   153.587
_cell_angle_gamma   36.369
_symmetry_Int_Tables_number   1
_cell_volume   157.069
_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  0.815  0.315  0.500  1.0
  Nd  Nd1  1  0.182  0.682  0.500  1.0
  Nd  Nd2  1  0.001  0.001  0.000  1.0
  Si  Si3  1  0.636  0.136  0.500  1.0
  Si  Si4  1  0.359  0.859  0.500  1.0
  Si  Si5  1  0.441  0.441  0.000  1.0
  Ni  Ni6  1  0.567  0.567  0.000  1.0
[/CIF]
.
The compound described by Nd3NiSi3 crystallizes in the orthorhombic Imm2 space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 7-coordinate geometry to one Si(1), two equivalent Si(3), and four equivalent Si(2) atoms. In the second Nd site, Nd(2) is bonded in a 7-coordinate geometry to two equivalent Ni(1), one Si(2), and four equivalent Si(1) atoms. In the third Nd site, Nd(3) is bonded to four equivalent Ni(1), two equivalent Si(1), two equivalent Si(2), and four equivalent Si(3) atoms to form a mixture of edge and face-sharing NdSi8Ni4 cuboctahedra. Ni(1) is bonded in a 9-coordinate geometry to two equivalent Nd(2), four equivalent Nd(3), one Si(3), and two equivalent Si(1) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Nd(1), two equivalent Nd(3), four equivalent Nd(2), and two equivalent Ni(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Nd(2), two equivalent Nd(3), four equivalent Nd(1), and two equivalent Si(3) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(3), one Ni(1), and two equivalent Si(2) atoms. is represented by the CIF file [CIF]
data_Nd3Si3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.476
_cell_length_b   9.476
_cell_length_c   9.476
_cell_angle_alpha   155.450
_cell_angle_beta   153.587
_cell_angle_gamma   36.369
_symmetry_Int_Tables_number   1
_cell_volume   157.069
_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  0.815  0.315  0.500  1.0
  Nd  Nd1  1  0.182  0.682  0.500  1.0
  Nd  Nd2  1  0.001  0.001  0.000  1.0
  Si  Si3  1  0.636  0.136  0.500  1.0
  Si  Si4  1  0.359  0.859  0.500  1.0
  Si  Si5  1  0.441  0.441  0.000  1.0
  Ni  Ni6  1  0.567  0.567  0.000  1.0
[/CIF]
.