The material structure described by Nd2(IrSi)3 crystallizes in the tetragonal P4/mmm space group. Nd(1) is bonded to four equivalent Nd(1), one Ir(1), and one Si(1) atom to form a mixture of distorted edge and corner-sharing NdNd4SiIr octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted linear geometry to one Nd(1) and one Si(2) atom. In the second Ir site, Ir(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 Ir(2) atom. In the second Si site, Si(2) is bonded in a linear geometry to two equivalent Ir(1) atoms. is represented by the CIF file [CIF]
data_Nd2(SiIr)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.827
_cell_length_b   2.827
_cell_length_c   20.687
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   165.366
_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  0.760  1.0
  Nd  Nd1  1  0.500  0.500  0.240  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
  Ir  Ir5  1  0.500  0.500  0.108  1.0
  Ir  Ir6  1  0.500  0.500  0.892  1.0
  Ir  Ir7  1  0.500  0.500  0.500  1.0
[/CIF]
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The material structure described by Nd2(IrSi)3 crystallizes in the tetragonal P4/mmm space group. Nd(1) is bonded to four equivalent Nd(1), one Ir(1), and one Si(1) atom to form a mixture of distorted edge and corner-sharing NdNd4SiIr octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted linear geometry to one Nd(1) and one Si(2) atom. In the second Ir site, Ir(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 Ir(2) atom. In the second Si site, Si(2) is bonded in a linear geometry to two equivalent Ir(1) atoms. is represented by the CIF file [CIF]
data_Nd2(SiIr)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.827
_cell_length_b   2.827
_cell_length_c   20.687
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   165.366
_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  0.760  1.0
  Nd  Nd1  1  0.500  0.500  0.240  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
  Ir  Ir5  1  0.500  0.500  0.108  1.0
  Ir  Ir6  1  0.500  0.500  0.892  1.0
  Ir  Ir7  1  0.500  0.500  0.500  1.0
[/CIF]
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