The material structure described by Nd5Pb4 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to one Pb(3), two equivalent Pb(2), and three equivalent Pb(1) atoms to form a mixture of distorted edge, face, and corner-sharing NdPb6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 40-41°. In the second Nd site, Nd(2) is bonded in a 6-coordinate geometry to one Pb(2), two equivalent Pb(3), and three equivalent Pb(1) atoms. In the third Nd site, Nd(3) is bonded to two equivalent Pb(1), two equivalent Pb(2), and two equivalent Pb(3) atoms to form a mixture of face and corner-sharing NdPb6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. There are three inequivalent Pb sites. In the first Pb site, Pb(3) is bonded in a 9-coordinate geometry to two equivalent Nd(1), two equivalent Nd(3), four equivalent Nd(2), and one Pb(2) atom. In the second Pb site, Pb(1) is bonded in a 7-coordinate geometry to one Nd(3), three equivalent Nd(1), and three equivalent Nd(2) atoms. In the third Pb site, Pb(2) is bonded in a 8-coordinate geometry to two equivalent Nd(2), two equivalent Nd(3), four equivalent Nd(1), and one Pb(3) atom. is represented by the CIF file [CIF]
data_Nd5Pb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.460
_cell_length_b   8.545
_cell_length_c   16.112
_cell_angle_alpha   90.000
_cell_angle_beta   90.007
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1164.682
_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  0.384  0.842  0.883  1.0
  Nd  Nd1  1  0.884  0.658  0.617  1.0
  Nd  Nd2  1  0.616  0.158  0.383  1.0
  Nd  Nd3  1  0.116  0.342  0.117  1.0
  Nd  Nd4  1  0.616  0.158  0.117  1.0
  Nd  Nd5  1  0.116  0.342  0.383  1.0
  Nd  Nd6  1  0.384  0.842  0.617  1.0
  Nd  Nd7  1  0.884  0.658  0.883  1.0
  Nd  Nd8  1  0.538  0.325  0.897  1.0
  Nd  Nd9  1  0.038  0.175  0.603  1.0
  Nd  Nd10  1  0.462  0.675  0.397  1.0
  Nd  Nd11  1  0.962  0.825  0.103  1.0
  Nd  Nd12  1  0.462  0.675  0.103  1.0
  Nd  Nd13  1  0.962  0.825  0.397  1.0
  Nd  Nd14  1  0.538  0.325  0.603  1.0
  Nd  Nd15  1  0.038  0.175  0.897  1.0
  Nd  Nd16  1  0.217  0.503  0.750  1.0
  Nd  Nd17  1  0.717  0.997  0.750  1.0
  Nd  Nd18  1  0.783  0.497  0.250  1.0
  Nd  Nd19  1  0.283  0.003  0.250  1.0
  Pb  Pb20  1  0.274  0.029  0.044  1.0
  Pb  Pb21  1  0.774  0.471  0.456  1.0
  Pb  Pb22  1  0.726  0.970  0.544  1.0
  Pb  Pb23  1  0.226  0.529  0.956  1.0
  Pb  Pb24  1  0.726  0.971  0.956  1.0
  Pb  Pb25  1  0.226  0.530  0.544  1.0
  Pb  Pb26  1  0.274  0.029  0.456  1.0
  Pb  Pb27  1  0.774  0.471  0.044  1.0
  Pb  Pb28  1  0.582  0.624  0.750  1.0
  Pb  Pb29  1  0.082  0.876  0.750  1.0
  Pb  Pb30  1  0.418  0.376  0.250  1.0
  Pb  Pb31  1  0.918  0.124  0.250  1.0
  Pb  Pb32  1  0.346  0.145  0.750  1.0
  Pb  Pb33  1  0.846  0.355  0.750  1.0
  Pb  Pb34  1  0.654  0.855  0.250  1.0
  Pb  Pb35  1  0.154  0.645  0.250  1.0
[/CIF]
.
The material structure described by Nd5Pb4 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to one Pb(3), two equivalent Pb(2), and three equivalent Pb(1) atoms to form a mixture of distorted edge, face, and corner-sharing NdPb6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 40-41°. In the second Nd site, Nd(2) is bonded in a 6-coordinate geometry to one Pb(2), two equivalent Pb(3), and three equivalent Pb(1) atoms. In the third Nd site, Nd(3) is bonded to two equivalent Pb(1), two equivalent Pb(2), and two equivalent Pb(3) atoms to form a mixture of face and corner-sharing NdPb6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. There are three inequivalent Pb sites. In the first Pb site, Pb(3) is bonded in a 9-coordinate geometry to two equivalent Nd(1), two equivalent Nd(3), four equivalent Nd(2), and one Pb(2) atom. In the second Pb site, Pb(1) is bonded in a 7-coordinate geometry to one Nd(3), three equivalent Nd(1), and three equivalent Nd(2) atoms. In the third Pb site, Pb(2) is bonded in a 8-coordinate geometry to two equivalent Nd(2), two equivalent Nd(3), four equivalent Nd(1), and one Pb(3) atom. is represented by the CIF file [CIF]
data_Nd5Pb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.460
_cell_length_b   8.545
_cell_length_c   16.112
_cell_angle_alpha   90.000
_cell_angle_beta   90.007
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1164.682
_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  0.384  0.842  0.883  1.0
  Nd  Nd1  1  0.884  0.658  0.617  1.0
  Nd  Nd2  1  0.616  0.158  0.383  1.0
  Nd  Nd3  1  0.116  0.342  0.117  1.0
  Nd  Nd4  1  0.616  0.158  0.117  1.0
  Nd  Nd5  1  0.116  0.342  0.383  1.0
  Nd  Nd6  1  0.384  0.842  0.617  1.0
  Nd  Nd7  1  0.884  0.658  0.883  1.0
  Nd  Nd8  1  0.538  0.325  0.897  1.0
  Nd  Nd9  1  0.038  0.175  0.603  1.0
  Nd  Nd10  1  0.462  0.675  0.397  1.0
  Nd  Nd11  1  0.962  0.825  0.103  1.0
  Nd  Nd12  1  0.462  0.675  0.103  1.0
  Nd  Nd13  1  0.962  0.825  0.397  1.0
  Nd  Nd14  1  0.538  0.325  0.603  1.0
  Nd  Nd15  1  0.038  0.175  0.897  1.0
  Nd  Nd16  1  0.217  0.503  0.750  1.0
  Nd  Nd17  1  0.717  0.997  0.750  1.0
  Nd  Nd18  1  0.783  0.497  0.250  1.0
  Nd  Nd19  1  0.283  0.003  0.250  1.0
  Pb  Pb20  1  0.274  0.029  0.044  1.0
  Pb  Pb21  1  0.774  0.471  0.456  1.0
  Pb  Pb22  1  0.726  0.970  0.544  1.0
  Pb  Pb23  1  0.226  0.529  0.956  1.0
  Pb  Pb24  1  0.726  0.971  0.956  1.0
  Pb  Pb25  1  0.226  0.530  0.544  1.0
  Pb  Pb26  1  0.274  0.029  0.456  1.0
  Pb  Pb27  1  0.774  0.471  0.044  1.0
  Pb  Pb28  1  0.582  0.624  0.750  1.0
  Pb  Pb29  1  0.082  0.876  0.750  1.0
  Pb  Pb30  1  0.418  0.376  0.250  1.0
  Pb  Pb31  1  0.918  0.124  0.250  1.0
  Pb  Pb32  1  0.346  0.145  0.750  1.0
  Pb  Pb33  1  0.846  0.355  0.750  1.0
  Pb  Pb34  1  0.654  0.855  0.250  1.0
  Pb  Pb35  1  0.154  0.645  0.250  1.0
[/CIF]
.