The material structure described by Nd5Si3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 6-coordinate geometry to six equivalent Si(1) atoms. In the second Nd site, Nd(2) is bonded in a 5-coordinate geometry to five equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to four equivalent Nd(1) and five equivalent Nd(2) atoms. is represented by the CIF card [CIF]
data_Nd5Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.710
_cell_length_b   8.785
_cell_length_c   8.785
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   448.443
_cell_formula_units_Z   2
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  0.500  0.333  0.667  1.0
  Nd  Nd1  1  0.500  0.667  0.333  1.0
  Nd  Nd2  1  0.000  0.667  0.333  1.0
  Nd  Nd3  1  1.000  0.333  0.667  1.0
  Nd  Nd4  1  0.750  0.247  1.000  1.0
  Nd  Nd5  1  0.750  0.753  0.753  1.0
  Nd  Nd6  1  0.750  0.000  0.247  1.0
  Nd  Nd7  1  0.250  0.753  1.000  1.0
  Nd  Nd8  1  0.250  0.247  0.247  1.0
  Nd  Nd9  1  0.250  0.000  0.753  1.0
  Si  Si10  1  0.750  0.607  1.000  1.0
  Si  Si11  1  0.750  0.393  0.393  1.0
  Si  Si12  1  0.750  0.000  0.607  1.0
  Si  Si13  1  0.250  0.393  1.000  1.0
  Si  Si14  1  0.250  0.607  0.607  1.0
  Si  Si15  1  0.250  0.000  0.393  1.0
[/CIF]
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The material structure described by Nd5Si3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 6-coordinate geometry to six equivalent Si(1) atoms. In the second Nd site, Nd(2) is bonded in a 5-coordinate geometry to five equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to four equivalent Nd(1) and five equivalent Nd(2) atoms. is represented by the CIF card [CIF]
data_Nd5Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.710
_cell_length_b   8.785
_cell_length_c   8.785
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   448.443
_cell_formula_units_Z   2
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  0.500  0.333  0.667  1.0
  Nd  Nd1  1  0.500  0.667  0.333  1.0
  Nd  Nd2  1  0.000  0.667  0.333  1.0
  Nd  Nd3  1  1.000  0.333  0.667  1.0
  Nd  Nd4  1  0.750  0.247  1.000  1.0
  Nd  Nd5  1  0.750  0.753  0.753  1.0
  Nd  Nd6  1  0.750  0.000  0.247  1.0
  Nd  Nd7  1  0.250  0.753  1.000  1.0
  Nd  Nd8  1  0.250  0.247  0.247  1.0
  Nd  Nd9  1  0.250  0.000  0.753  1.0
  Si  Si10  1  0.750  0.607  1.000  1.0
  Si  Si11  1  0.750  0.393  0.393  1.0
  Si  Si12  1  0.750  0.000  0.607  1.0
  Si  Si13  1  0.250  0.393  1.000  1.0
  Si  Si14  1  0.250  0.607  0.607  1.0
  Si  Si15  1  0.250  0.000  0.393  1.0
[/CIF]
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