The material structure described by Nd2SiS5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 9-coordinate geometry to one S(5), two equivalent S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to one S(1), one S(3), two equivalent S(2), two equivalent S(4), and two equivalent S(5) atoms. Si(1) is bonded in a tetrahedral geometry to one S(1), one S(2), one S(3), and one S(5) atom. There are five inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to one Nd(2), two equivalent Nd(1), and one Si(1) atom. In the second S site, S(2) is bonded to two equivalent Nd(1), two equivalent Nd(2), and one Si(1) atom to form distorted SNd4Si trigonal bipyramids that share corners with five equivalent S(5)Nd3Si tetrahedra, corners with three equivalent S(4)Nd4 trigonal pyramids,  an edgeedge with one S(5)Nd3Si tetrahedra, edges with two equivalent S(2)Nd4Si trigonal bipyramids,  an edgeedge with one S(4)Nd4 trigonal pyramid, and  a faceface with one S(4)Nd4 trigonal pyramid. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Nd(2), two equivalent Nd(1), and one Si(1) atom. In the fourth S site, S(4) is bonded to two equivalent Nd(1) and two equivalent Nd(2) atoms to form SNd4 trigonal pyramids that share corners with four equivalent S(5)Nd3Si tetrahedra, corners with three equivalent S(2)Nd4Si trigonal bipyramids, corners with two equivalent S(4)Nd4 trigonal pyramids,  an edgeedge with one S(5)Nd3Si tetrahedra,  an edgeedge with one S(2)Nd4Si trigonal bipyramid,  an edgeedge with one S(4)Nd4 trigonal pyramid, and  a faceface with one S(2)Nd4Si trigonal bipyramid. In the fifth S site, S(5) is bonded to one Nd(1), two equivalent Nd(2), and one Si(1) atom to form distorted SNd3Si tetrahedra that share corners with five equivalent S(2)Nd4Si trigonal bipyramids, corners with four equivalent S(4)Nd4 trigonal pyramids,  an edgeedge with one S(5)Nd3Si tetrahedra,  an edgeedge with one S(2)Nd4Si trigonal bipyramid, and  an edgeedge with one S(4)Nd4 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2SiS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.505
_cell_length_b   7.557
_cell_length_c   7.806
_cell_angle_alpha   78.632
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   723.208
_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  0.835  0.838  0.632  1.0
  Nd  Nd1  1  0.165  0.162  0.368  1.0
  Nd  Nd2  1  0.335  0.162  0.868  1.0
  Nd  Nd3  1  0.665  0.838  0.132  1.0
  Nd  Nd4  1  0.406  0.760  0.542  1.0
  Nd  Nd5  1  0.594  0.240  0.458  1.0
  Nd  Nd6  1  0.906  0.240  0.958  1.0
  Nd  Nd7  1  0.094  0.760  0.042  1.0
  Si  Si8  1  0.116  0.668  0.595  1.0
  Si  Si9  1  0.884  0.332  0.405  1.0
  Si  Si10  1  0.616  0.332  0.905  1.0
  Si  Si11  1  0.384  0.668  0.095  1.0
  S  S12  1  0.471  0.826  0.885  1.0
  S  S13  1  0.529  0.174  0.115  1.0
  S  S14  1  0.971  0.174  0.615  1.0
  S  S15  1  0.029  0.826  0.385  1.0
  S  S16  1  0.203  0.870  0.695  1.0
  S  S17  1  0.797  0.130  0.305  1.0
  S  S18  1  0.703  0.130  0.805  1.0
  S  S19  1  0.297  0.870  0.195  1.0
  S  S20  1  0.227  0.473  0.550  1.0
  S  S21  1  0.773  0.527  0.450  1.0
  S  S22  1  0.727  0.527  0.950  1.0
  S  S23  1  0.273  0.473  0.050  1.0
  S  S24  1  0.879  0.863  0.997  1.0
  S  S25  1  0.121  0.137  0.003  1.0
  S  S26  1  0.379  0.137  0.503  1.0
  S  S27  1  0.621  0.863  0.497  1.0
  S  S28  1  0.497  0.421  0.719  1.0
  S  S29  1  0.503  0.579  0.281  1.0
  S  S30  1  0.997  0.579  0.781  1.0
  S  S31  1  0.003  0.421  0.219  1.0
[/CIF]
.
The material structure described by Nd2SiS5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 9-coordinate geometry to one S(5), two equivalent S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to one S(1), one S(3), two equivalent S(2), two equivalent S(4), and two equivalent S(5) atoms. Si(1) is bonded in a tetrahedral geometry to one S(1), one S(2), one S(3), and one S(5) atom. There are five inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to one Nd(2), two equivalent Nd(1), and one Si(1) atom. In the second S site, S(2) is bonded to two equivalent Nd(1), two equivalent Nd(2), and one Si(1) atom to form distorted SNd4Si trigonal bipyramids that share corners with five equivalent S(5)Nd3Si tetrahedra, corners with three equivalent S(4)Nd4 trigonal pyramids,  an edgeedge with one S(5)Nd3Si tetrahedra, edges with two equivalent S(2)Nd4Si trigonal bipyramids,  an edgeedge with one S(4)Nd4 trigonal pyramid, and  a faceface with one S(4)Nd4 trigonal pyramid. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Nd(2), two equivalent Nd(1), and one Si(1) atom. In the fourth S site, S(4) is bonded to two equivalent Nd(1) and two equivalent Nd(2) atoms to form SNd4 trigonal pyramids that share corners with four equivalent S(5)Nd3Si tetrahedra, corners with three equivalent S(2)Nd4Si trigonal bipyramids, corners with two equivalent S(4)Nd4 trigonal pyramids,  an edgeedge with one S(5)Nd3Si tetrahedra,  an edgeedge with one S(2)Nd4Si trigonal bipyramid,  an edgeedge with one S(4)Nd4 trigonal pyramid, and  a faceface with one S(2)Nd4Si trigonal bipyramid. In the fifth S site, S(5) is bonded to one Nd(1), two equivalent Nd(2), and one Si(1) atom to form distorted SNd3Si tetrahedra that share corners with five equivalent S(2)Nd4Si trigonal bipyramids, corners with four equivalent S(4)Nd4 trigonal pyramids,  an edgeedge with one S(5)Nd3Si tetrahedra,  an edgeedge with one S(2)Nd4Si trigonal bipyramid, and  an edgeedge with one S(4)Nd4 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2SiS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.505
_cell_length_b   7.557
_cell_length_c   7.806
_cell_angle_alpha   78.632
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   723.208
_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  0.835  0.838  0.632  1.0
  Nd  Nd1  1  0.165  0.162  0.368  1.0
  Nd  Nd2  1  0.335  0.162  0.868  1.0
  Nd  Nd3  1  0.665  0.838  0.132  1.0
  Nd  Nd4  1  0.406  0.760  0.542  1.0
  Nd  Nd5  1  0.594  0.240  0.458  1.0
  Nd  Nd6  1  0.906  0.240  0.958  1.0
  Nd  Nd7  1  0.094  0.760  0.042  1.0
  Si  Si8  1  0.116  0.668  0.595  1.0
  Si  Si9  1  0.884  0.332  0.405  1.0
  Si  Si10  1  0.616  0.332  0.905  1.0
  Si  Si11  1  0.384  0.668  0.095  1.0
  S  S12  1  0.471  0.826  0.885  1.0
  S  S13  1  0.529  0.174  0.115  1.0
  S  S14  1  0.971  0.174  0.615  1.0
  S  S15  1  0.029  0.826  0.385  1.0
  S  S16  1  0.203  0.870  0.695  1.0
  S  S17  1  0.797  0.130  0.305  1.0
  S  S18  1  0.703  0.130  0.805  1.0
  S  S19  1  0.297  0.870  0.195  1.0
  S  S20  1  0.227  0.473  0.550  1.0
  S  S21  1  0.773  0.527  0.450  1.0
  S  S22  1  0.727  0.527  0.950  1.0
  S  S23  1  0.273  0.473  0.050  1.0
  S  S24  1  0.879  0.863  0.997  1.0
  S  S25  1  0.121  0.137  0.003  1.0
  S  S26  1  0.379  0.137  0.503  1.0
  S  S27  1  0.621  0.863  0.497  1.0
  S  S28  1  0.497  0.421  0.719  1.0
  S  S29  1  0.503  0.579  0.281  1.0
  S  S30  1  0.997  0.579  0.781  1.0
  S  S31  1  0.003  0.421  0.219  1.0
[/CIF]
.