The crystal structure described by NdIr3Si2 crystallizes in the orthorhombic Imma space group. Nd(1) is bonded in a 20-coordinate geometry to two equivalent Nd(1), four equivalent Ir(1), eight equivalent Ir(2), and six equivalent Si(1) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 4-coordinate geometry to four equivalent Nd(1) and four equivalent Si(1) atoms. In the second Ir site, Ir(2) is bonded in a 6-coordinate geometry to four equivalent Nd(1) and four equivalent Si(1) atoms. Si(1) is bonded in a 6-coordinate geometry to three equivalent Nd(1), two equivalent Ir(1), and four equivalent Ir(2) atoms. is represented by the CIF file [CIF]
data_NdSi2Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.680
_cell_length_b   6.680
_cell_length_c   6.680
_cell_angle_alpha   130.328
_cell_angle_beta   114.780
_cell_angle_gamma   86.199
_symmetry_Int_Tables_number   1
_cell_volume   197.100
_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  0.250  0.971  0.721  1.0
  Nd  Nd1  1  0.750  0.029  0.279  1.0
  Si  Si2  1  0.079  0.281  0.202  1.0
  Si  Si3  1  0.921  0.719  0.798  1.0
  Si  Si4  1  0.421  0.623  0.202  1.0
  Si  Si5  1  0.579  0.377  0.798  1.0
  Ir  Ir6  1  0.500  0.500  0.500  1.0
  Ir  Ir7  1  0.000  0.500  0.000  1.0
  Ir  Ir8  1  0.280  0.000  0.280  1.0
  Ir  Ir9  1  0.720  0.000  0.720  1.0
  Ir  Ir10  1  0.220  0.500  0.720  1.0
  Ir  Ir11  1  0.780  0.500  0.280  1.0
[/CIF]
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The crystal structure described by NdIr3Si2 crystallizes in the orthorhombic Imma space group. Nd(1) is bonded in a 20-coordinate geometry to two equivalent Nd(1), four equivalent Ir(1), eight equivalent Ir(2), and six equivalent Si(1) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 4-coordinate geometry to four equivalent Nd(1) and four equivalent Si(1) atoms. In the second Ir site, Ir(2) is bonded in a 6-coordinate geometry to four equivalent Nd(1) and four equivalent Si(1) atoms. Si(1) is bonded in a 6-coordinate geometry to three equivalent Nd(1), two equivalent Ir(1), and four equivalent Ir(2) atoms. is represented by the CIF file [CIF]
data_NdSi2Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.680
_cell_length_b   6.680
_cell_length_c   6.680
_cell_angle_alpha   130.328
_cell_angle_beta   114.780
_cell_angle_gamma   86.199
_symmetry_Int_Tables_number   1
_cell_volume   197.100
_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  0.250  0.971  0.721  1.0
  Nd  Nd1  1  0.750  0.029  0.279  1.0
  Si  Si2  1  0.079  0.281  0.202  1.0
  Si  Si3  1  0.921  0.719  0.798  1.0
  Si  Si4  1  0.421  0.623  0.202  1.0
  Si  Si5  1  0.579  0.377  0.798  1.0
  Ir  Ir6  1  0.500  0.500  0.500  1.0
  Ir  Ir7  1  0.000  0.500  0.000  1.0
  Ir  Ir8  1  0.280  0.000  0.280  1.0
  Ir  Ir9  1  0.720  0.000  0.720  1.0
  Ir  Ir10  1  0.220  0.500  0.720  1.0
  Ir  Ir11  1  0.780  0.500  0.280  1.0
[/CIF]
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