The material structure described by Nd5S9 crystallizes in the monoclinic C2 space group. There are five inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one S(10), one S(2), one S(6), one S(7), two equivalent S(1), and two equivalent S(3) atoms. In the second Nd site, Nd(2) is bonded in a 9-coordinate geometry to one S(2), one S(3), one S(4), two equivalent S(5), two equivalent S(8), and two equivalent S(9) atoms. In the third Nd site, Nd(3) is bonded in a 8-coordinate geometry to one S(1), one S(10), one S(4), one S(5), one S(6), one S(7), and two equivalent S(2) atoms. In the fourth Nd site, Nd(4) is bonded in a 8-coordinate geometry to one S(5), one S(7), one S(8), one S(9), two equivalent S(1), and two equivalent S(3) atoms. In the fifth Nd site, Nd(5) is bonded in a 8-coordinate geometry to one S(2), one S(5), one S(7), one S(8), one S(9), and three equivalent S(4) atoms. There are ten inequivalent S sites. In the first S site, S(8) is bonded in a 4-coordinate geometry to one Nd(4), one Nd(5), and two equivalent Nd(2) atoms. In the second S site, S(9) is bonded in a 4-coordinate geometry to one Nd(4), one Nd(5), and two equivalent Nd(2) atoms. In the third S site, S(10) is bonded in a 8-coordinate geometry to two equivalent Nd(1), two equivalent Nd(3), two equivalent S(6), and two equivalent S(7) atoms. In the fourth S site, S(1) is bonded to one Nd(3), two equivalent Nd(1), and two equivalent Nd(4) atoms to form a mixture of distorted edge and corner-sharing SNd5 trigonal bipyramids. In the fifth S site, S(2) is bonded to one Nd(1), one Nd(2), one Nd(5), and two equivalent Nd(3) atoms to form a mixture of distorted edge and corner-sharing SNd5 trigonal bipyramids. In the sixth S site, S(3) is bonded to one Nd(2), two equivalent Nd(1), and two equivalent Nd(4) atoms to form a mixture of distorted edge and corner-sharing SNd5 trigonal bipyramids. In the seventh S site, S(4) is bonded to one Nd(2), one Nd(3), and three equivalent Nd(5) atoms to form a mixture of distorted edge and corner-sharing SNd5 trigonal bipyramids. In the eighth S site, S(5) is bonded to one Nd(3), one Nd(4), one Nd(5), and two equivalent Nd(2) atoms to form a mixture of distorted edge and corner-sharing SNd5 trigonal bipyramids. In the ninth S site, S(6) is bonded in a 4-coordinate geometry to two equivalent Nd(1), two equivalent Nd(3), and two equivalent S(10) atoms. In the tenth S site, S(7) is bonded in a 5-coordinate geometry to one Nd(1), one Nd(3), one Nd(4), one Nd(5), and one S(10) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd5S9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.134
_cell_length_b   12.134
_cell_length_c   9.929
_cell_angle_alpha   81.918
_cell_angle_beta   81.918
_cell_angle_gamma   26.326
_symmetry_Int_Tables_number   1
_cell_volume   641.562
_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  0.555  0.459  0.265  1.0
  Nd  Nd1  1  0.350  0.251  0.652  1.0
  Nd  Nd2  1  0.156  0.054  0.072  1.0
  Nd  Nd3  1  0.944  0.867  0.459  1.0
  Nd  Nd4  1  0.768  0.639  0.868  1.0
  Nd  Nd5  1  0.133  0.056  0.541  1.0
  Nd  Nd6  1  0.946  0.844  0.928  1.0
  Nd  Nd7  1  0.749  0.650  0.348  1.0
  Nd  Nd8  1  0.541  0.445  0.735  1.0
  Nd  Nd9  1  0.361  0.232  0.132  1.0
  S  S10  1  0.025  0.927  0.679  1.0
  S  S11  1  0.424  0.326  0.875  1.0
  S  S12  1  0.619  0.534  0.487  1.0
  S  S13  1  0.843  0.717  0.078  1.0
  S  S14  1  0.226  0.129  0.286  1.0
  S  S15  1  0.466  0.381  0.513  1.0
  S  S16  1  0.871  0.774  0.714  1.0
  S  S17  1  0.073  0.975  0.321  1.0
  S  S18  1  0.283  0.157  0.922  1.0
  S  S19  1  0.674  0.576  0.125  1.0
  S  S20  1  0.300  0.700  0.000  1.0
  S  S21  1  0.711  0.114  0.173  1.0
  S  S22  1  0.886  0.289  0.827  1.0
  S  S23  1  0.114  0.509  0.376  1.0
  S  S24  1  0.491  0.886  0.624  1.0
  S  S25  1  0.993  0.397  0.612  1.0
  S  S26  1  0.799  0.201  0.000  1.0
  S  S27  1  0.603  0.007  0.388  1.0
[/CIF]
.
The material structure described by Nd5S9 crystallizes in the monoclinic C2 space group. There are five inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one S(10), one S(2), one S(6), one S(7), two equivalent S(1), and two equivalent S(3) atoms. In the second Nd site, Nd(2) is bonded in a 9-coordinate geometry to one S(2), one S(3), one S(4), two equivalent S(5), two equivalent S(8), and two equivalent S(9) atoms. In the third Nd site, Nd(3) is bonded in a 8-coordinate geometry to one S(1), one S(10), one S(4), one S(5), one S(6), one S(7), and two equivalent S(2) atoms. In the fourth Nd site, Nd(4) is bonded in a 8-coordinate geometry to one S(5), one S(7), one S(8), one S(9), two equivalent S(1), and two equivalent S(3) atoms. In the fifth Nd site, Nd(5) is bonded in a 8-coordinate geometry to one S(2), one S(5), one S(7), one S(8), one S(9), and three equivalent S(4) atoms. There are ten inequivalent S sites. In the first S site, S(8) is bonded in a 4-coordinate geometry to one Nd(4), one Nd(5), and two equivalent Nd(2) atoms. In the second S site, S(9) is bonded in a 4-coordinate geometry to one Nd(4), one Nd(5), and two equivalent Nd(2) atoms. In the third S site, S(10) is bonded in a 8-coordinate geometry to two equivalent Nd(1), two equivalent Nd(3), two equivalent S(6), and two equivalent S(7) atoms. In the fourth S site, S(1) is bonded to one Nd(3), two equivalent Nd(1), and two equivalent Nd(4) atoms to form a mixture of distorted edge and corner-sharing SNd5 trigonal bipyramids. In the fifth S site, S(2) is bonded to one Nd(1), one Nd(2), one Nd(5), and two equivalent Nd(3) atoms to form a mixture of distorted edge and corner-sharing SNd5 trigonal bipyramids. In the sixth S site, S(3) is bonded to one Nd(2), two equivalent Nd(1), and two equivalent Nd(4) atoms to form a mixture of distorted edge and corner-sharing SNd5 trigonal bipyramids. In the seventh S site, S(4) is bonded to one Nd(2), one Nd(3), and three equivalent Nd(5) atoms to form a mixture of distorted edge and corner-sharing SNd5 trigonal bipyramids. In the eighth S site, S(5) is bonded to one Nd(3), one Nd(4), one Nd(5), and two equivalent Nd(2) atoms to form a mixture of distorted edge and corner-sharing SNd5 trigonal bipyramids. In the ninth S site, S(6) is bonded in a 4-coordinate geometry to two equivalent Nd(1), two equivalent Nd(3), and two equivalent S(10) atoms. In the tenth S site, S(7) is bonded in a 5-coordinate geometry to one Nd(1), one Nd(3), one Nd(4), one Nd(5), and one S(10) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd5S9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.134
_cell_length_b   12.134
_cell_length_c   9.929
_cell_angle_alpha   81.918
_cell_angle_beta   81.918
_cell_angle_gamma   26.326
_symmetry_Int_Tables_number   1
_cell_volume   641.562
_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  0.555  0.459  0.265  1.0
  Nd  Nd1  1  0.350  0.251  0.652  1.0
  Nd  Nd2  1  0.156  0.054  0.072  1.0
  Nd  Nd3  1  0.944  0.867  0.459  1.0
  Nd  Nd4  1  0.768  0.639  0.868  1.0
  Nd  Nd5  1  0.133  0.056  0.541  1.0
  Nd  Nd6  1  0.946  0.844  0.928  1.0
  Nd  Nd7  1  0.749  0.650  0.348  1.0
  Nd  Nd8  1  0.541  0.445  0.735  1.0
  Nd  Nd9  1  0.361  0.232  0.132  1.0
  S  S10  1  0.025  0.927  0.679  1.0
  S  S11  1  0.424  0.326  0.875  1.0
  S  S12  1  0.619  0.534  0.487  1.0
  S  S13  1  0.843  0.717  0.078  1.0
  S  S14  1  0.226  0.129  0.286  1.0
  S  S15  1  0.466  0.381  0.513  1.0
  S  S16  1  0.871  0.774  0.714  1.0
  S  S17  1  0.073  0.975  0.321  1.0
  S  S18  1  0.283  0.157  0.922  1.0
  S  S19  1  0.674  0.576  0.125  1.0
  S  S20  1  0.300  0.700  0.000  1.0
  S  S21  1  0.711  0.114  0.173  1.0
  S  S22  1  0.886  0.289  0.827  1.0
  S  S23  1  0.114  0.509  0.376  1.0
  S  S24  1  0.491  0.886  0.624  1.0
  S  S25  1  0.993  0.397  0.612  1.0
  S  S26  1  0.799  0.201  0.000  1.0
  S  S27  1  0.603  0.007  0.388  1.0
[/CIF]
.