The material structure described by Nd2(PtSi)3 crystallizes in the tetragonal P4/mmm space group. Nd(1) is bonded to four equivalent Nd(1), one Pt(1), and one Si(1) atom to form a mixture of distorted corner and edge-sharing NdNd4SiPt octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a distorted linear geometry to one Nd(1) and one Si(2) atom. In the second Pt site, Pt(2) is bonded in a distorted linear geometry to two equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted linear geometry to one Nd(1) and one Pt(2) atom. In the second Si site, Si(2) is bonded in a distorted linear geometry to two equivalent Pt(1) atoms. is represented by the CIF card [CIF]
data_Nd2(SiPt)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.799
_cell_length_b   2.799
_cell_length_c   21.160
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   165.737
_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  0.500  0.500  0.754  1.0
  Nd  Nd1  1  0.500  0.500  0.246  1.0
  Si  Si2  1  0.500  0.500  0.389  1.0
  Si  Si3  1  0.500  0.500  0.611  1.0
  Si  Si4  1  0.500  0.500  0.000  1.0
  Pt  Pt5  1  0.500  0.500  0.112  1.0
  Pt  Pt6  1  0.500  0.500  0.888  1.0
  Pt  Pt7  1  0.500  0.500  0.500  1.0
[/CIF]
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The material structure described by Nd2(PtSi)3 crystallizes in the tetragonal P4/mmm space group. Nd(1) is bonded to four equivalent Nd(1), one Pt(1), and one Si(1) atom to form a mixture of distorted corner and edge-sharing NdNd4SiPt octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a distorted linear geometry to one Nd(1) and one Si(2) atom. In the second Pt site, Pt(2) is bonded in a distorted linear geometry to two equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted linear geometry to one Nd(1) and one Pt(2) atom. In the second Si site, Si(2) is bonded in a distorted linear geometry to two equivalent Pt(1) atoms. is represented by the CIF card [CIF]
data_Nd2(SiPt)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.799
_cell_length_b   2.799
_cell_length_c   21.160
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   165.737
_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  0.500  0.500  0.754  1.0
  Nd  Nd1  1  0.500  0.500  0.246  1.0
  Si  Si2  1  0.500  0.500  0.389  1.0
  Si  Si3  1  0.500  0.500  0.611  1.0
  Si  Si4  1  0.500  0.500  0.000  1.0
  Pt  Pt5  1  0.500  0.500  0.112  1.0
  Pt  Pt6  1  0.500  0.500  0.888  1.0
  Pt  Pt7  1  0.500  0.500  0.500  1.0
[/CIF]
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