The material structure described by Nd4IrSn8 crystallizes in the orthorhombic Pmm2 space group. There are four inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 10-coordinate geometry to two equivalent Sn(1), two equivalent Sn(3), two equivalent Sn(6), and four equivalent Sn(7) atoms. In the second Nd site, Nd(2) is bonded in a 10-coordinate geometry to two equivalent Sn(2), two equivalent Sn(4), two equivalent Sn(5), and four equivalent Sn(8) atoms. In the third Nd site, Nd(3) is bonded in a 14-coordinate geometry to four equivalent Ir(1), two equivalent Sn(1), two equivalent Sn(3), two equivalent Sn(8), and four equivalent Sn(5) atoms. In the fourth Nd site, Nd(4) is bonded in a 10-coordinate geometry to two equivalent Sn(2), two equivalent Sn(4), two equivalent Sn(7), and four equivalent Sn(6) atoms. Ir(1) is bonded in a 5-coordinate geometry to four equivalent Nd(3), one Sn(5), two equivalent Sn(1), and two equivalent Sn(3) atoms. There are eight inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to two equivalent Nd(1), two equivalent Nd(3), two equivalent Ir(1), and four equivalent Sn(3) atoms. In the second Sn site, Sn(2) is bonded in a 8-coordinate geometry to two equivalent Nd(2), two equivalent Nd(4), and four equivalent Sn(4) atoms. In the third Sn site, Sn(3) is bonded in a 4-coordinate geometry to two equivalent Nd(1), two equivalent Nd(3), two equivalent Ir(1), and four equivalent Sn(1) atoms. In the fourth Sn site, Sn(4) is bonded in a 8-coordinate geometry to two equivalent Nd(2), two equivalent Nd(4), and four equivalent Sn(2) atoms. In the fifth Sn site, Sn(5) is bonded in a 9-coordinate geometry to two equivalent Nd(2), four equivalent Nd(3), one Ir(1), and two equivalent Sn(8) atoms. In the sixth Sn site, Sn(6) is bonded in a 8-coordinate geometry to two equivalent Nd(1), four equivalent Nd(4), and two equivalent Sn(7) atoms. In the seventh Sn site, Sn(7) is bonded in a 8-coordinate geometry to two equivalent Nd(4), four equivalent Nd(1), and two equivalent Sn(6) atoms. In the eighth Sn site, Sn(8) is bonded in a 8-coordinate geometry to two equivalent Nd(3), four equivalent Nd(2), and two equivalent Sn(5) atoms. is represented by the CIF file [CIF]
data_Nd4Sn8Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.512
_cell_length_b   4.540
_cell_length_c   17.441
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   357.232
_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  0.250  0.000  0.100  1.0
  Nd  Nd1  1  0.250  0.500  0.607  1.0
  Nd  Nd2  1  0.750  0.500  0.396  1.0
  Nd  Nd3  1  0.750  0.000  0.899  1.0
  Sn  Sn4  1  0.250  0.500  0.235  1.0
  Sn  Sn5  1  0.250  0.000  0.749  1.0
  Sn  Sn6  1  0.750  0.000  0.235  1.0
  Sn  Sn7  1  0.750  0.500  0.755  1.0
  Sn  Sn8  1  0.250  0.000  0.462  1.0
  Sn  Sn9  1  0.250  0.500  0.941  1.0
  Sn  Sn10  1  0.750  0.500  0.058  1.0
  Sn  Sn11  1  0.750  0.000  0.572  1.0
  Ir  Ir12  1  0.250  0.000  0.314  1.0
[/CIF]
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The material structure described by Nd4IrSn8 crystallizes in the orthorhombic Pmm2 space group. There are four inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 10-coordinate geometry to two equivalent Sn(1), two equivalent Sn(3), two equivalent Sn(6), and four equivalent Sn(7) atoms. In the second Nd site, Nd(2) is bonded in a 10-coordinate geometry to two equivalent Sn(2), two equivalent Sn(4), two equivalent Sn(5), and four equivalent Sn(8) atoms. In the third Nd site, Nd(3) is bonded in a 14-coordinate geometry to four equivalent Ir(1), two equivalent Sn(1), two equivalent Sn(3), two equivalent Sn(8), and four equivalent Sn(5) atoms. In the fourth Nd site, Nd(4) is bonded in a 10-coordinate geometry to two equivalent Sn(2), two equivalent Sn(4), two equivalent Sn(7), and four equivalent Sn(6) atoms. Ir(1) is bonded in a 5-coordinate geometry to four equivalent Nd(3), one Sn(5), two equivalent Sn(1), and two equivalent Sn(3) atoms. There are eight inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to two equivalent Nd(1), two equivalent Nd(3), two equivalent Ir(1), and four equivalent Sn(3) atoms. In the second Sn site, Sn(2) is bonded in a 8-coordinate geometry to two equivalent Nd(2), two equivalent Nd(4), and four equivalent Sn(4) atoms. In the third Sn site, Sn(3) is bonded in a 4-coordinate geometry to two equivalent Nd(1), two equivalent Nd(3), two equivalent Ir(1), and four equivalent Sn(1) atoms. In the fourth Sn site, Sn(4) is bonded in a 8-coordinate geometry to two equivalent Nd(2), two equivalent Nd(4), and four equivalent Sn(2) atoms. In the fifth Sn site, Sn(5) is bonded in a 9-coordinate geometry to two equivalent Nd(2), four equivalent Nd(3), one Ir(1), and two equivalent Sn(8) atoms. In the sixth Sn site, Sn(6) is bonded in a 8-coordinate geometry to two equivalent Nd(1), four equivalent Nd(4), and two equivalent Sn(7) atoms. In the seventh Sn site, Sn(7) is bonded in a 8-coordinate geometry to two equivalent Nd(4), four equivalent Nd(1), and two equivalent Sn(6) atoms. In the eighth Sn site, Sn(8) is bonded in a 8-coordinate geometry to two equivalent Nd(3), four equivalent Nd(2), and two equivalent Sn(5) atoms. is represented by the CIF file [CIF]
data_Nd4Sn8Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.512
_cell_length_b   4.540
_cell_length_c   17.441
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   357.232
_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  0.250  0.000  0.100  1.0
  Nd  Nd1  1  0.250  0.500  0.607  1.0
  Nd  Nd2  1  0.750  0.500  0.396  1.0
  Nd  Nd3  1  0.750  0.000  0.899  1.0
  Sn  Sn4  1  0.250  0.500  0.235  1.0
  Sn  Sn5  1  0.250  0.000  0.749  1.0
  Sn  Sn6  1  0.750  0.000  0.235  1.0
  Sn  Sn7  1  0.750  0.500  0.755  1.0
  Sn  Sn8  1  0.250  0.000  0.462  1.0
  Sn  Sn9  1  0.250  0.500  0.941  1.0
  Sn  Sn10  1  0.750  0.500  0.058  1.0
  Sn  Sn11  1  0.750  0.000  0.572  1.0
  Ir  Ir12  1  0.250  0.000  0.314  1.0
[/CIF]
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