The material structure described by Nd3(PdSn)5 crystallizes in the monoclinic C2/m space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 13-coordinate geometry to one Pd(2), two equivalent Pd(5), three equivalent Pd(3), one Sn(5), two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms. In the second Nd site, Nd(2) is bonded in a 15-coordinate geometry to one Pd(1), one Pd(3), one Pd(4), two equivalent Pd(2), two equivalent Pd(5), one Sn(3), one Sn(5), two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(4) atoms. In the third Nd site, Nd(3) is bonded in a 10-coordinate geometry to one Pd(2), two equivalent Pd(1), three equivalent Pd(4), two equivalent Sn(3), and two equivalent Sn(6) atoms. There are five inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 9-coordinate geometry to one Nd(2), two equivalent Nd(3), two equivalent Sn(1), two equivalent Sn(4), and two equivalent Sn(6) atoms. In the second Pd site, Pd(2) is bonded in a 8-coordinate geometry to one Nd(1), one Nd(3), two equivalent Nd(2), one Sn(2), one Sn(4), and two equivalent Sn(3) atoms. In the third Pd site, Pd(3) is bonded in a 7-coordinate geometry to one Nd(2), three equivalent Nd(1), one Sn(3), and three equivalent Sn(2) atoms. In the fourth Pd site, Pd(4) is bonded in a 7-coordinate geometry to one Nd(2), three equivalent Nd(3), one Sn(3), and three equivalent Sn(4) atoms. In the fifth Pd site, Pd(5) is bonded in a 10-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), one Pd(5), one Sn(1), two equivalent Sn(2), and two equivalent Sn(5) atoms. There are six inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), one Pd(5), two equivalent Pd(1), one Sn(3), and one Sn(6) atom. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), one Pd(2), two equivalent Pd(5), and three equivalent Pd(3) atoms. In the third Sn site, Sn(3) is bonded in a 10-coordinate geometry to one Nd(2), two equivalent Nd(1), two equivalent Nd(3), one Pd(3), one Pd(4), two equivalent Pd(2), and one Sn(1) atom. In the fourth Sn site, Sn(4) is bonded in a 6-coordinate geometry to two equivalent Nd(2), one Pd(2), two equivalent Pd(1), three equivalent Pd(4), and one Sn(6) atom. In the fifth Sn site, Sn(5) is bonded in a 8-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), and four equivalent Pd(5) atoms. In the sixth Sn site, Sn(6) is bonded to four equivalent Nd(3), four equivalent Pd(1), two equivalent Sn(1), and two equivalent Sn(4) atoms to form distorted face-sharing SnNd4Sn4Pd4 cuboctahedra. is represented by the CIF card [CIF]
data_Nd3(SnPd)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.078
_cell_length_b   9.078
_cell_length_c   14.339
_cell_angle_alpha   81.066
_cell_angle_beta   81.066
_cell_angle_gamma   29.191
_symmetry_Int_Tables_number   1
_cell_volume   568.806
_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  0.362  0.362  0.373  1.0
  Nd  Nd1  1  0.638  0.638  0.627  1.0
  Nd  Nd2  1  0.398  0.398  0.715  1.0
  Nd  Nd3  1  0.602  0.602  0.285  1.0
  Nd  Nd4  1  0.636  0.636  0.914  1.0
  Nd  Nd5  1  0.364  0.364  0.086  1.0
  Sn  Sn6  1  0.031  0.031  0.779  1.0
  Sn  Sn7  1  0.969  0.969  0.221  1.0
  Sn  Sn8  1  0.150  0.150  0.448  1.0
  Sn  Sn9  1  0.850  0.850  0.552  1.0
  Sn  Sn10  1  0.203  0.203  0.760  1.0
  Sn  Sn11  1  0.797  0.797  0.240  1.0
  Sn  Sn12  1  0.847  0.847  0.905  1.0
  Sn  Sn13  1  0.153  0.153  0.095  1.0
  Sn  Sn14  1  0.500  0.500  0.500  1.0
  Sn  Sn15  1  0.000  0.000  0.000  1.0
  Pd  Pd16  1  0.465  0.465  0.886  1.0
  Pd  Pd17  1  0.535  0.535  0.114  1.0
  Pd  Pd18  1  0.216  0.216  0.260  1.0
  Pd  Pd19  1  0.784  0.784  0.740  1.0
  Pd  Pd20  1  0.260  0.260  0.567  1.0
  Pd  Pd21  1  0.740  0.740  0.433  1.0
  Pd  Pd22  1  0.263  0.263  0.928  1.0
  Pd  Pd23  1  0.737  0.737  0.072  1.0
  Pd  Pd24  1  0.009  0.009  0.597  1.0
  Pd  Pd25  1  0.991  0.991  0.403  1.0
[/CIF]
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The material structure described by Nd3(PdSn)5 crystallizes in the monoclinic C2/m space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 13-coordinate geometry to one Pd(2), two equivalent Pd(5), three equivalent Pd(3), one Sn(5), two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms. In the second Nd site, Nd(2) is bonded in a 15-coordinate geometry to one Pd(1), one Pd(3), one Pd(4), two equivalent Pd(2), two equivalent Pd(5), one Sn(3), one Sn(5), two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(4) atoms. In the third Nd site, Nd(3) is bonded in a 10-coordinate geometry to one Pd(2), two equivalent Pd(1), three equivalent Pd(4), two equivalent Sn(3), and two equivalent Sn(6) atoms. There are five inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 9-coordinate geometry to one Nd(2), two equivalent Nd(3), two equivalent Sn(1), two equivalent Sn(4), and two equivalent Sn(6) atoms. In the second Pd site, Pd(2) is bonded in a 8-coordinate geometry to one Nd(1), one Nd(3), two equivalent Nd(2), one Sn(2), one Sn(4), and two equivalent Sn(3) atoms. In the third Pd site, Pd(3) is bonded in a 7-coordinate geometry to one Nd(2), three equivalent Nd(1), one Sn(3), and three equivalent Sn(2) atoms. In the fourth Pd site, Pd(4) is bonded in a 7-coordinate geometry to one Nd(2), three equivalent Nd(3), one Sn(3), and three equivalent Sn(4) atoms. In the fifth Pd site, Pd(5) is bonded in a 10-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), one Pd(5), one Sn(1), two equivalent Sn(2), and two equivalent Sn(5) atoms. There are six inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), one Pd(5), two equivalent Pd(1), one Sn(3), and one Sn(6) atom. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), one Pd(2), two equivalent Pd(5), and three equivalent Pd(3) atoms. In the third Sn site, Sn(3) is bonded in a 10-coordinate geometry to one Nd(2), two equivalent Nd(1), two equivalent Nd(3), one Pd(3), one Pd(4), two equivalent Pd(2), and one Sn(1) atom. In the fourth Sn site, Sn(4) is bonded in a 6-coordinate geometry to two equivalent Nd(2), one Pd(2), two equivalent Pd(1), three equivalent Pd(4), and one Sn(6) atom. In the fifth Sn site, Sn(5) is bonded in a 8-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), and four equivalent Pd(5) atoms. In the sixth Sn site, Sn(6) is bonded to four equivalent Nd(3), four equivalent Pd(1), two equivalent Sn(1), and two equivalent Sn(4) atoms to form distorted face-sharing SnNd4Sn4Pd4 cuboctahedra. is represented by the CIF card [CIF]
data_Nd3(SnPd)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.078
_cell_length_b   9.078
_cell_length_c   14.339
_cell_angle_alpha   81.066
_cell_angle_beta   81.066
_cell_angle_gamma   29.191
_symmetry_Int_Tables_number   1
_cell_volume   568.806
_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  0.362  0.362  0.373  1.0
  Nd  Nd1  1  0.638  0.638  0.627  1.0
  Nd  Nd2  1  0.398  0.398  0.715  1.0
  Nd  Nd3  1  0.602  0.602  0.285  1.0
  Nd  Nd4  1  0.636  0.636  0.914  1.0
  Nd  Nd5  1  0.364  0.364  0.086  1.0
  Sn  Sn6  1  0.031  0.031  0.779  1.0
  Sn  Sn7  1  0.969  0.969  0.221  1.0
  Sn  Sn8  1  0.150  0.150  0.448  1.0
  Sn  Sn9  1  0.850  0.850  0.552  1.0
  Sn  Sn10  1  0.203  0.203  0.760  1.0
  Sn  Sn11  1  0.797  0.797  0.240  1.0
  Sn  Sn12  1  0.847  0.847  0.905  1.0
  Sn  Sn13  1  0.153  0.153  0.095  1.0
  Sn  Sn14  1  0.500  0.500  0.500  1.0
  Sn  Sn15  1  0.000  0.000  0.000  1.0
  Pd  Pd16  1  0.465  0.465  0.886  1.0
  Pd  Pd17  1  0.535  0.535  0.114  1.0
  Pd  Pd18  1  0.216  0.216  0.260  1.0
  Pd  Pd19  1  0.784  0.784  0.740  1.0
  Pd  Pd20  1  0.260  0.260  0.567  1.0
  Pd  Pd21  1  0.740  0.740  0.433  1.0
  Pd  Pd22  1  0.263  0.263  0.928  1.0
  Pd  Pd23  1  0.737  0.737  0.072  1.0
  Pd  Pd24  1  0.009  0.009  0.597  1.0
  Pd  Pd25  1  0.991  0.991  0.403  1.0
[/CIF]
.