The material described by Nd2Cu4Sn5 crystallizes in the tetragonal I4mm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 13-coordinate geometry to one Cu(2), four equivalent Cu(1), four equivalent Sn(2), and four equivalent Sn(3) atoms. In the second Nd site, Nd(2) is bonded in a 16-coordinate geometry to four equivalent Cu(1), four equivalent Cu(2), four equivalent Cu(3), and four equivalent Sn(1) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted body-centered cubic geometry to two equivalent Nd(1), two equivalent Nd(2), two equivalent Cu(2), and two equivalent Sn(3) atoms. In the second Cu site, Cu(2) is bonded in a 10-coordinate geometry to one Nd(1), four equivalent Nd(2), one Cu(3), and four equivalent Cu(1) atoms. In the third Cu site, Cu(3) is bonded in a 9-coordinate geometry to four equivalent Nd(2), one Cu(2), and four equivalent Sn(1) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to two equivalent Nd(2), two equivalent Cu(3), one Sn(2), and four equivalent Sn(1) atoms. In the second Sn site, Sn(2) is bonded in a 7-coordinate geometry to two equivalent Nd(1), one Sn(1), and four equivalent Sn(2) atoms. In the third Sn site, Sn(3) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Nd2Cu4Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.519
_cell_length_b   4.519
_cell_length_c   12.632
_cell_angle_alpha   100.305
_cell_angle_beta   100.305
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   249.611
_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  0.999  0.999  0.998  1.0
  Nd  Nd1  1  0.681  0.681  0.362  1.0
  Cu  Cu2  1  0.091  0.591  0.182  1.0
  Cu  Cu3  1  0.591  0.091  0.182  1.0
  Cu  Cu4  1  0.130  0.130  0.260  1.0
  Cu  Cu5  1  0.227  0.227  0.453  1.0
  Sn  Sn6  1  0.285  0.785  0.570  1.0
  Sn  Sn7  1  0.785  0.285  0.570  1.0
  Sn  Sn8  1  0.403  0.903  0.806  1.0
  Sn  Sn9  1  0.903  0.403  0.806  1.0
  Sn  Sn10  1  0.532  0.532  0.063  1.0
[/CIF]
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The material described by Nd2Cu4Sn5 crystallizes in the tetragonal I4mm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 13-coordinate geometry to one Cu(2), four equivalent Cu(1), four equivalent Sn(2), and four equivalent Sn(3) atoms. In the second Nd site, Nd(2) is bonded in a 16-coordinate geometry to four equivalent Cu(1), four equivalent Cu(2), four equivalent Cu(3), and four equivalent Sn(1) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted body-centered cubic geometry to two equivalent Nd(1), two equivalent Nd(2), two equivalent Cu(2), and two equivalent Sn(3) atoms. In the second Cu site, Cu(2) is bonded in a 10-coordinate geometry to one Nd(1), four equivalent Nd(2), one Cu(3), and four equivalent Cu(1) atoms. In the third Cu site, Cu(3) is bonded in a 9-coordinate geometry to four equivalent Nd(2), one Cu(2), and four equivalent Sn(1) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to two equivalent Nd(2), two equivalent Cu(3), one Sn(2), and four equivalent Sn(1) atoms. In the second Sn site, Sn(2) is bonded in a 7-coordinate geometry to two equivalent Nd(1), one Sn(1), and four equivalent Sn(2) atoms. In the third Sn site, Sn(3) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Nd2Cu4Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.519
_cell_length_b   4.519
_cell_length_c   12.632
_cell_angle_alpha   100.305
_cell_angle_beta   100.305
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   249.611
_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  0.999  0.999  0.998  1.0
  Nd  Nd1  1  0.681  0.681  0.362  1.0
  Cu  Cu2  1  0.091  0.591  0.182  1.0
  Cu  Cu3  1  0.591  0.091  0.182  1.0
  Cu  Cu4  1  0.130  0.130  0.260  1.0
  Cu  Cu5  1  0.227  0.227  0.453  1.0
  Sn  Sn6  1  0.285  0.785  0.570  1.0
  Sn  Sn7  1  0.785  0.285  0.570  1.0
  Sn  Sn8  1  0.403  0.903  0.806  1.0
  Sn  Sn9  1  0.903  0.403  0.806  1.0
  Sn  Sn10  1  0.532  0.532  0.063  1.0
[/CIF]
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