The structure described by Nd2Sn3 crystallizes in the triclinic P-1 space group. There are four inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 9-coordinate geometry to one Sn(5), two equivalent Sn(3), two equivalent Sn(4), two equivalent Sn(6), and three equivalent Sn(1) atoms. In the second Nd site, Nd(2) is bonded in a 9-coordinate geometry to one Sn(1), one Sn(3), one Sn(4), one Sn(6), two equivalent Sn(2), and three equivalent Sn(5) atoms. In the third Nd site, Nd(3) is bonded in a 9-coordinate geometry to one Sn(3), one Sn(4), one Sn(5), two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(6) atoms. In the fourth Nd site, Nd(4) is bonded in a 8-coordinate geometry to one Sn(3), one Sn(4), one Sn(6), two equivalent Sn(5), and three equivalent Sn(2) atoms. There are six inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 8-coordinate geometry to one Nd(2), two equivalent Nd(3), three equivalent Nd(1), one Sn(1), and one Sn(6) atom. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to two equivalent Nd(2), two equivalent Nd(3), three equivalent Nd(4), one Sn(5), and one Sn(6) atom. In the third Sn site, Sn(3) is bonded in a 7-coordinate geometry to one Nd(2), one Nd(3), one Nd(4), two equivalent Nd(1), and two equivalent Sn(4) atoms. In the fourth Sn site, Sn(4) is bonded in a 7-coordinate geometry to one Nd(2), one Nd(3), one Nd(4), two equivalent Nd(1), and two equivalent Sn(3) atoms. In the fifth Sn site, Sn(5) is bonded in a 10-coordinate geometry to one Nd(1), one Nd(3), two equivalent Nd(4), three equivalent Nd(2), one Sn(2), one Sn(5), and one Sn(6) atom. In the sixth Sn site, Sn(6) is bonded in a 9-coordinate geometry to one Nd(2), one Nd(4), two equivalent Nd(1), two equivalent Nd(3), one Sn(1), one Sn(2), and one Sn(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2Sn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.451
_cell_length_b   8.549
_cell_length_c   11.195
_cell_angle_alpha   107.493
_cell_angle_beta   96.862
_cell_angle_gamma   100.126
_symmetry_Int_Tables_number   1
_cell_volume   569.874
_cell_formula_units_Z   4
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  0.041  0.746  0.945  1.0
  Nd  Nd1  1  0.959  0.254  0.055  1.0
  Nd  Nd2  1  0.444  0.569  0.664  1.0
  Nd  Nd3  1  0.556  0.431  0.336  1.0
  Nd  Nd4  1  0.669  0.966  0.255  1.0
  Nd  Nd5  1  0.331  0.034  0.745  1.0
  Nd  Nd6  1  0.872  0.249  0.619  1.0
  Nd  Nd7  1  0.128  0.751  0.381  1.0
  Sn  Sn8  1  0.562  0.833  0.947  1.0
  Sn  Sn9  1  0.438  0.167  0.053  1.0
  Sn  Sn10  1  0.646  0.835  0.502  1.0
  Sn  Sn11  1  0.354  0.165  0.498  1.0
  Sn  Sn12  1  0.673  0.399  0.863  1.0
  Sn  Sn13  1  0.327  0.601  0.137  1.0
  Sn  Sn14  1  0.776  0.594  0.136  1.0
  Sn  Sn15  1  0.224  0.406  0.864  1.0
  Sn  Sn16  1  0.047  0.352  0.381  1.0
  Sn  Sn17  1  0.953  0.648  0.619  1.0
  Sn  Sn18  1  0.177  0.040  0.223  1.0
  Sn  Sn19  1  0.823  0.960  0.777  1.0
[/CIF]
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The structure described by Nd2Sn3 crystallizes in the triclinic P-1 space group. There are four inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 9-coordinate geometry to one Sn(5), two equivalent Sn(3), two equivalent Sn(4), two equivalent Sn(6), and three equivalent Sn(1) atoms. In the second Nd site, Nd(2) is bonded in a 9-coordinate geometry to one Sn(1), one Sn(3), one Sn(4), one Sn(6), two equivalent Sn(2), and three equivalent Sn(5) atoms. In the third Nd site, Nd(3) is bonded in a 9-coordinate geometry to one Sn(3), one Sn(4), one Sn(5), two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(6) atoms. In the fourth Nd site, Nd(4) is bonded in a 8-coordinate geometry to one Sn(3), one Sn(4), one Sn(6), two equivalent Sn(5), and three equivalent Sn(2) atoms. There are six inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 8-coordinate geometry to one Nd(2), two equivalent Nd(3), three equivalent Nd(1), one Sn(1), and one Sn(6) atom. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to two equivalent Nd(2), two equivalent Nd(3), three equivalent Nd(4), one Sn(5), and one Sn(6) atom. In the third Sn site, Sn(3) is bonded in a 7-coordinate geometry to one Nd(2), one Nd(3), one Nd(4), two equivalent Nd(1), and two equivalent Sn(4) atoms. In the fourth Sn site, Sn(4) is bonded in a 7-coordinate geometry to one Nd(2), one Nd(3), one Nd(4), two equivalent Nd(1), and two equivalent Sn(3) atoms. In the fifth Sn site, Sn(5) is bonded in a 10-coordinate geometry to one Nd(1), one Nd(3), two equivalent Nd(4), three equivalent Nd(2), one Sn(2), one Sn(5), and one Sn(6) atom. In the sixth Sn site, Sn(6) is bonded in a 9-coordinate geometry to one Nd(2), one Nd(4), two equivalent Nd(1), two equivalent Nd(3), one Sn(1), one Sn(2), and one Sn(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2Sn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.451
_cell_length_b   8.549
_cell_length_c   11.195
_cell_angle_alpha   107.493
_cell_angle_beta   96.862
_cell_angle_gamma   100.126
_symmetry_Int_Tables_number   1
_cell_volume   569.874
_cell_formula_units_Z   4
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  0.041  0.746  0.945  1.0
  Nd  Nd1  1  0.959  0.254  0.055  1.0
  Nd  Nd2  1  0.444  0.569  0.664  1.0
  Nd  Nd3  1  0.556  0.431  0.336  1.0
  Nd  Nd4  1  0.669  0.966  0.255  1.0
  Nd  Nd5  1  0.331  0.034  0.745  1.0
  Nd  Nd6  1  0.872  0.249  0.619  1.0
  Nd  Nd7  1  0.128  0.751  0.381  1.0
  Sn  Sn8  1  0.562  0.833  0.947  1.0
  Sn  Sn9  1  0.438  0.167  0.053  1.0
  Sn  Sn10  1  0.646  0.835  0.502  1.0
  Sn  Sn11  1  0.354  0.165  0.498  1.0
  Sn  Sn12  1  0.673  0.399  0.863  1.0
  Sn  Sn13  1  0.327  0.601  0.137  1.0
  Sn  Sn14  1  0.776  0.594  0.136  1.0
  Sn  Sn15  1  0.224  0.406  0.864  1.0
  Sn  Sn16  1  0.047  0.352  0.381  1.0
  Sn  Sn17  1  0.953  0.648  0.619  1.0
  Sn  Sn18  1  0.177  0.040  0.223  1.0
  Sn  Sn19  1  0.823  0.960  0.777  1.0
[/CIF]
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