The structure described by Nd5Si4 crystallizes in the tetragonal P4_12_12 space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 6-coordinate geometry to three equivalent Si(1) and three equivalent Si(2) atoms. In the second Nd site, Nd(2) is bonded to three equivalent Si(1) and three equivalent Si(2) atoms to form a mixture of distorted face, corner, and edge-sharing NdSi6 octahedra. The corner-sharing octahedral tilt angles range from 40-47°. In the third Nd site, Nd(3) is bonded to two equivalent Si(2) and four equivalent Si(1) atoms to form a mixture of face and corner-sharing NdSi6 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Nd(3), three equivalent Nd(1), three equivalent Nd(2), and one Si(2) atom. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to one Nd(3), three equivalent Nd(1), three equivalent Nd(2), and one Si(1) atom. is represented by the CIF file [CIF]
data_Nd5Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.902
_cell_length_b   7.902
_cell_length_c   15.155
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   946.208
_cell_formula_units_Z   4
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  0.481  0.373  0.125  1.0
  Nd  Nd1  1  0.981  0.127  0.625  1.0
  Nd  Nd2  1  0.873  0.019  0.875  1.0
  Nd  Nd3  1  0.127  0.981  0.375  1.0
  Nd  Nd4  1  0.519  0.627  0.625  1.0
  Nd  Nd5  1  0.373  0.481  0.875  1.0
  Nd  Nd6  1  0.627  0.519  0.375  1.0
  Nd  Nd7  1  0.019  0.873  0.125  1.0
  Nd  Nd8  1  0.622  0.990  0.448  1.0
  Nd  Nd9  1  0.378  0.010  0.948  1.0
  Nd  Nd10  1  0.990  0.622  0.552  1.0
  Nd  Nd11  1  0.490  0.878  0.198  1.0
  Nd  Nd12  1  0.510  0.122  0.698  1.0
  Nd  Nd13  1  0.878  0.490  0.802  1.0
  Nd  Nd14  1  0.122  0.510  0.302  1.0
  Nd  Nd15  1  0.010  0.378  0.052  1.0
  Nd  Nd16  1  0.309  0.309  0.500  1.0
  Nd  Nd17  1  0.191  0.809  0.750  1.0
  Nd  Nd18  1  0.809  0.191  0.250  1.0
  Nd  Nd19  1  0.691  0.691  0.000  1.0
  Si  Si20  1  0.288  0.922  0.559  1.0
  Si  Si21  1  0.712  0.078  0.059  1.0
  Si  Si22  1  0.922  0.288  0.441  1.0
  Si  Si23  1  0.422  0.212  0.309  1.0
  Si  Si24  1  0.578  0.788  0.809  1.0
  Si  Si25  1  0.212  0.422  0.691  1.0
  Si  Si26  1  0.788  0.578  0.191  1.0
  Si  Si27  1  0.078  0.712  0.941  1.0
  Si  Si28  1  0.804  0.830  0.701  1.0
  Si  Si29  1  0.196  0.170  0.201  1.0
  Si  Si30  1  0.830  0.804  0.299  1.0
  Si  Si31  1  0.330  0.696  0.451  1.0
  Si  Si32  1  0.670  0.304  0.951  1.0
  Si  Si33  1  0.696  0.330  0.549  1.0
  Si  Si34  1  0.304  0.670  0.049  1.0
  Si  Si35  1  0.170  0.196  0.799  1.0
[/CIF]
.
The structure described by Nd5Si4 crystallizes in the tetragonal P4_12_12 space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 6-coordinate geometry to three equivalent Si(1) and three equivalent Si(2) atoms. In the second Nd site, Nd(2) is bonded to three equivalent Si(1) and three equivalent Si(2) atoms to form a mixture of distorted face, corner, and edge-sharing NdSi6 octahedra. The corner-sharing octahedral tilt angles range from 40-47°. In the third Nd site, Nd(3) is bonded to two equivalent Si(2) and four equivalent Si(1) atoms to form a mixture of face and corner-sharing NdSi6 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Nd(3), three equivalent Nd(1), three equivalent Nd(2), and one Si(2) atom. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to one Nd(3), three equivalent Nd(1), three equivalent Nd(2), and one Si(1) atom. is represented by the CIF file [CIF]
data_Nd5Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.902
_cell_length_b   7.902
_cell_length_c   15.155
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   946.208
_cell_formula_units_Z   4
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  0.481  0.373  0.125  1.0
  Nd  Nd1  1  0.981  0.127  0.625  1.0
  Nd  Nd2  1  0.873  0.019  0.875  1.0
  Nd  Nd3  1  0.127  0.981  0.375  1.0
  Nd  Nd4  1  0.519  0.627  0.625  1.0
  Nd  Nd5  1  0.373  0.481  0.875  1.0
  Nd  Nd6  1  0.627  0.519  0.375  1.0
  Nd  Nd7  1  0.019  0.873  0.125  1.0
  Nd  Nd8  1  0.622  0.990  0.448  1.0
  Nd  Nd9  1  0.378  0.010  0.948  1.0
  Nd  Nd10  1  0.990  0.622  0.552  1.0
  Nd  Nd11  1  0.490  0.878  0.198  1.0
  Nd  Nd12  1  0.510  0.122  0.698  1.0
  Nd  Nd13  1  0.878  0.490  0.802  1.0
  Nd  Nd14  1  0.122  0.510  0.302  1.0
  Nd  Nd15  1  0.010  0.378  0.052  1.0
  Nd  Nd16  1  0.309  0.309  0.500  1.0
  Nd  Nd17  1  0.191  0.809  0.750  1.0
  Nd  Nd18  1  0.809  0.191  0.250  1.0
  Nd  Nd19  1  0.691  0.691  0.000  1.0
  Si  Si20  1  0.288  0.922  0.559  1.0
  Si  Si21  1  0.712  0.078  0.059  1.0
  Si  Si22  1  0.922  0.288  0.441  1.0
  Si  Si23  1  0.422  0.212  0.309  1.0
  Si  Si24  1  0.578  0.788  0.809  1.0
  Si  Si25  1  0.212  0.422  0.691  1.0
  Si  Si26  1  0.788  0.578  0.191  1.0
  Si  Si27  1  0.078  0.712  0.941  1.0
  Si  Si28  1  0.804  0.830  0.701  1.0
  Si  Si29  1  0.196  0.170  0.201  1.0
  Si  Si30  1  0.830  0.804  0.299  1.0
  Si  Si31  1  0.330  0.696  0.451  1.0
  Si  Si32  1  0.670  0.304  0.951  1.0
  Si  Si33  1  0.696  0.330  0.549  1.0
  Si  Si34  1  0.304  0.670  0.049  1.0
  Si  Si35  1  0.170  0.196  0.799  1.0
[/CIF]
.