The material structure described by Nd6Si4S17 crystallizes in the triclinic P-1 space group. There are six inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 7-coordinate geometry to one S(11), one S(14), one S(15), one S(17), one S(3), one S(4), and one S(7) atom. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to one S(11), one S(13), one S(16), one S(4), two equivalent S(6), and two equivalent S(8) atoms. In the third Nd site, Nd(3) is bonded in a 9-coordinate geometry to one S(10), one S(11), one S(15), one S(16), one S(2), one S(3), one S(8), and two equivalent S(5) atoms. In the fourth Nd site, Nd(4) is bonded in a 9-coordinate geometry to one S(15), one S(2), one S(3), one S(7), one S(9), two equivalent S(12), and two equivalent S(14) atoms. In the fifth Nd site, Nd(5) is bonded in a 8-coordinate geometry to one S(1), one S(10), one S(12), one S(13), one S(15), one S(4), one S(5), and one S(6) atom. In the sixth Nd site, Nd(6) is bonded in a 8-coordinate geometry to one S(1), one S(12), one S(13), one S(16), one S(17), one S(2), one S(7), and one S(9) atom. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a tetrahedral geometry to one S(14), one S(17), one S(2), and one S(3) atom. In the second Si site, Si(2) is bonded in a tetrahedral geometry to one S(10), one S(13), one S(16), and one S(6) atom. In the third Si site, Si(3) is bonded in a tetrahedral geometry to one S(1), one S(12), one S(7), and one S(9) atom. In the fourth Si site, Si(4) is bonded in a tetrahedral geometry to one S(11), one S(4), one S(5), and one S(8) atom. There are seventeen inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to one Nd(5), one Nd(6), and one Si(3) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Nd(3), one Nd(4), one Nd(6), and one Si(1) atom. In the third S site, S(3) is bonded in a 1-coordinate geometry to one Nd(1), one Nd(3), one Nd(4), and one Si(1) atom. In the fourth S site, S(4) is bonded in a distorted rectangular see-saw-like geometry to one Nd(1), one Nd(2), one Nd(5), and one Si(4) atom. In the fifth S site, S(5) is bonded in a 4-coordinate geometry to one Nd(5), two equivalent Nd(3), and one Si(4) atom. In the sixth S site, S(6) is bonded in a distorted rectangular see-saw-like geometry to one Nd(5), two equivalent Nd(2), and one Si(2) atom. In the seventh S site, S(7) is bonded to one Nd(1), one Nd(4), one Nd(6), and one Si(3) atom to form distorted SNd3Si trigonal pyramids that share  a cornercorner with one S(11)Nd3Si trigonal pyramid,  a cornercorner with one S(13)Nd3Si trigonal pyramid,  a cornercorner with one S(16)Nd3Si trigonal pyramid, and  an edgeedge with one S(15)Nd4 tetrahedra. In the eighth S site, S(8) is bonded to one Nd(3), two equivalent Nd(2), and one Si(4) atom to form distorted SNd3Si trigonal pyramids that share  a cornercorner with one S(15)Nd4 tetrahedra,  a cornercorner with one S(16)Nd3Si trigonal pyramid, corners with two equivalent S(11)Nd3Si trigonal pyramids, corners with two equivalent S(13)Nd3Si trigonal pyramids,  an edgeedge with one S(11)Nd3Si trigonal pyramid,  an edgeedge with one S(16)Nd3Si trigonal pyramid, and  an edgeedge with one S(8)Nd3Si trigonal pyramid. In the ninth S site, S(9) is bonded in a distorted T-shaped geometry to one Nd(4), one Nd(6), and one Si(3) atom. In the tenth S site, S(10) is bonded in a distorted T-shaped geometry to one Nd(3), one Nd(5), and one Si(2) atom. In the eleventh S site, S(11) is bonded to one Nd(1), one Nd(2), one Nd(3), and one Si(4) atom to form distorted SNd3Si trigonal pyramids that share  a cornercorner with one S(13)Nd3Si trigonal pyramid,  a cornercorner with one S(7)Nd3Si trigonal pyramid, corners with two equivalent S(16)Nd3Si trigonal pyramids, corners with two equivalent S(8)Nd3Si trigonal pyramids,  an edgeedge with one S(15)Nd4 tetrahedra, and  an edgeedge with one S(8)Nd3Si trigonal pyramid. In the twelfth S site, S(12) is bonded in a 5-coordinate geometry to one Nd(5), one Nd(6), two equivalent Nd(4), and one Si(3) atom. In the thirteenth S site, S(13) is bonded to one Nd(2), one Nd(5), one Nd(6), and one Si(2) atom to form distorted SNd3Si trigonal pyramids that share  a cornercorner with one S(15)Nd4 tetrahedra,  a cornercorner with one S(11)Nd3Si trigonal pyramid,  a cornercorner with one S(16)Nd3Si trigonal pyramid,  a cornercorner with one S(7)Nd3Si trigonal pyramid, corners with two equivalent S(8)Nd3Si trigonal pyramids, and  an edgeedge with one S(16)Nd3Si trigonal pyramid. In the fourteenth S site, S(14) is bonded in a distorted rectangular see-saw-like geometry to one Nd(1), two equivalent Nd(4), and one Si(1) atom. In the fifteenth S site, S(15) is bonded to one Nd(1), one Nd(3), one Nd(4), and one Nd(5) atom to form a mixture of edge and corner-sharing SNd4 tetrahedra. In the sixteenth S site, S(16) is bonded to one Nd(2), one Nd(3), one Nd(6), and one Si(2) atom to form distorted SNd3Si trigonal pyramids that share  a cornercorner with one S(15)Nd4 tetrahedra,  a cornercorner with one S(13)Nd3Si trigonal pyramid,  a cornercorner with one S(7)Nd3Si trigonal pyramid,  a cornercorner with one S(8)Nd3Si trigonal pyramid, corners with two equivalent S(11)Nd3Si trigonal pyramids,  an edgeedge with one S(13)Nd3Si trigonal pyramid, and  an edgeedge with one S(8)Nd3Si trigonal pyramid. In the seventeenth S site, S(17) is bonded in a distorted T-shaped geometry to one Nd(1), one Nd(6), and one Si(1) atom. is represented by the CIF file [CIF]
data_Nd6Si4S17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.966
_cell_length_b   9.981
_cell_length_c   14.262
_cell_angle_alpha   81.999
_cell_angle_beta   87.012
_cell_angle_gamma   89.287
_symmetry_Int_Tables_number   1
_cell_volume   1262.226
_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  0.632  0.936  0.324  1.0
  Nd  Nd1  1  0.368  0.064  0.676  1.0
  Nd  Nd2  1  0.552  0.261  0.998  1.0
  Nd  Nd3  1  0.915  0.919  0.834  1.0
  Nd  Nd4  1  0.448  0.739  0.002  1.0
  Nd  Nd5  1  0.982  0.232  0.539  1.0
  Nd  Nd6  1  0.894  0.615  0.184  1.0
  Nd  Nd7  1  0.668  0.589  0.658  1.0
  Nd  Nd8  1  0.018  0.768  0.461  1.0
  Nd  Nd9  1  0.106  0.385  0.816  1.0
  Nd  Nd10  1  0.085  0.081  0.166  1.0
  Nd  Nd11  1  0.332  0.411  0.342  1.0
  Si  Si12  1  0.276  0.058  0.394  1.0
  Si  Si13  1  0.769  0.561  0.901  1.0
  Si  Si14  1  0.724  0.942  0.606  1.0
  Si  Si15  1  0.250  0.500  0.584  1.0
  Si  Si16  1  0.750  0.500  0.416  1.0
  Si  Si17  1  0.251  0.060  0.923  1.0
  Si  Si18  1  0.231  0.439  0.099  1.0
  Si  Si19  1  0.749  0.940  0.077  1.0
  S  S20  1  0.355  0.531  0.707  1.0
  S  S21  1  0.108  0.201  0.345  1.0
  S  S22  1  0.304  0.912  0.301  1.0
  S  S23  1  0.383  0.212  0.839  1.0
  S  S24  1  0.042  0.149  0.952  1.0
  S  S25  1  0.645  0.469  0.293  1.0
  S  S26  1  0.321  0.482  0.957  1.0
  S  S27  1  0.892  0.799  0.655  1.0
  S  S28  1  0.297  0.308  0.541  1.0
  S  S29  1  0.660  0.999  0.943  1.0
  S  S30  1  0.307  0.633  0.461  1.0
  S  S31  1  0.991  0.627  0.885  1.0
  S  S32  1  0.743  0.115  0.148  1.0
  S  S33  1  0.985  0.507  0.377  1.0
  S  S34  1  0.752  0.386  0.832  1.0
  S  S35  1  0.696  0.088  0.699  1.0
  S  S36  1  0.815  0.020  0.469  1.0
  S  S37  1  0.703  0.692  0.459  1.0
  S  S38  1  0.067  0.143  0.721  1.0
  S  S39  1  0.185  0.980  0.531  1.0
  S  S40  1  0.617  0.788  0.161  1.0
  S  S41  1  0.009  0.373  0.115  1.0
  S  S42  1  0.340  0.001  0.057  1.0
  S  S43  1  0.257  0.885  0.852  1.0
  S  S44  1  0.367  0.283  0.166  1.0
  S  S45  1  0.248  0.614  0.168  1.0
  S  S46  1  0.958  0.851  0.048  1.0
  S  S47  1  0.483  0.154  0.397  1.0
  S  S48  1  0.693  0.367  0.539  1.0
  S  S49  1  0.517  0.846  0.603  1.0
  S  S50  1  0.015  0.493  0.623  1.0
  S  S51  1  0.633  0.717  0.834  1.0
  S  S52  1  0.679  0.518  0.043  1.0
  S  S53  1  0.933  0.857  0.279  1.0
[/CIF]
.
The material structure described by Nd6Si4S17 crystallizes in the triclinic P-1 space group. There are six inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 7-coordinate geometry to one S(11), one S(14), one S(15), one S(17), one S(3), one S(4), and one S(7) atom. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to one S(11), one S(13), one S(16), one S(4), two equivalent S(6), and two equivalent S(8) atoms. In the third Nd site, Nd(3) is bonded in a 9-coordinate geometry to one S(10), one S(11), one S(15), one S(16), one S(2), one S(3), one S(8), and two equivalent S(5) atoms. In the fourth Nd site, Nd(4) is bonded in a 9-coordinate geometry to one S(15), one S(2), one S(3), one S(7), one S(9), two equivalent S(12), and two equivalent S(14) atoms. In the fifth Nd site, Nd(5) is bonded in a 8-coordinate geometry to one S(1), one S(10), one S(12), one S(13), one S(15), one S(4), one S(5), and one S(6) atom. In the sixth Nd site, Nd(6) is bonded in a 8-coordinate geometry to one S(1), one S(12), one S(13), one S(16), one S(17), one S(2), one S(7), and one S(9) atom. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a tetrahedral geometry to one S(14), one S(17), one S(2), and one S(3) atom. In the second Si site, Si(2) is bonded in a tetrahedral geometry to one S(10), one S(13), one S(16), and one S(6) atom. In the third Si site, Si(3) is bonded in a tetrahedral geometry to one S(1), one S(12), one S(7), and one S(9) atom. In the fourth Si site, Si(4) is bonded in a tetrahedral geometry to one S(11), one S(4), one S(5), and one S(8) atom. There are seventeen inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to one Nd(5), one Nd(6), and one Si(3) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Nd(3), one Nd(4), one Nd(6), and one Si(1) atom. In the third S site, S(3) is bonded in a 1-coordinate geometry to one Nd(1), one Nd(3), one Nd(4), and one Si(1) atom. In the fourth S site, S(4) is bonded in a distorted rectangular see-saw-like geometry to one Nd(1), one Nd(2), one Nd(5), and one Si(4) atom. In the fifth S site, S(5) is bonded in a 4-coordinate geometry to one Nd(5), two equivalent Nd(3), and one Si(4) atom. In the sixth S site, S(6) is bonded in a distorted rectangular see-saw-like geometry to one Nd(5), two equivalent Nd(2), and one Si(2) atom. In the seventh S site, S(7) is bonded to one Nd(1), one Nd(4), one Nd(6), and one Si(3) atom to form distorted SNd3Si trigonal pyramids that share  a cornercorner with one S(11)Nd3Si trigonal pyramid,  a cornercorner with one S(13)Nd3Si trigonal pyramid,  a cornercorner with one S(16)Nd3Si trigonal pyramid, and  an edgeedge with one S(15)Nd4 tetrahedra. In the eighth S site, S(8) is bonded to one Nd(3), two equivalent Nd(2), and one Si(4) atom to form distorted SNd3Si trigonal pyramids that share  a cornercorner with one S(15)Nd4 tetrahedra,  a cornercorner with one S(16)Nd3Si trigonal pyramid, corners with two equivalent S(11)Nd3Si trigonal pyramids, corners with two equivalent S(13)Nd3Si trigonal pyramids,  an edgeedge with one S(11)Nd3Si trigonal pyramid,  an edgeedge with one S(16)Nd3Si trigonal pyramid, and  an edgeedge with one S(8)Nd3Si trigonal pyramid. In the ninth S site, S(9) is bonded in a distorted T-shaped geometry to one Nd(4), one Nd(6), and one Si(3) atom. In the tenth S site, S(10) is bonded in a distorted T-shaped geometry to one Nd(3), one Nd(5), and one Si(2) atom. In the eleventh S site, S(11) is bonded to one Nd(1), one Nd(2), one Nd(3), and one Si(4) atom to form distorted SNd3Si trigonal pyramids that share  a cornercorner with one S(13)Nd3Si trigonal pyramid,  a cornercorner with one S(7)Nd3Si trigonal pyramid, corners with two equivalent S(16)Nd3Si trigonal pyramids, corners with two equivalent S(8)Nd3Si trigonal pyramids,  an edgeedge with one S(15)Nd4 tetrahedra, and  an edgeedge with one S(8)Nd3Si trigonal pyramid. In the twelfth S site, S(12) is bonded in a 5-coordinate geometry to one Nd(5), one Nd(6), two equivalent Nd(4), and one Si(3) atom. In the thirteenth S site, S(13) is bonded to one Nd(2), one Nd(5), one Nd(6), and one Si(2) atom to form distorted SNd3Si trigonal pyramids that share  a cornercorner with one S(15)Nd4 tetrahedra,  a cornercorner with one S(11)Nd3Si trigonal pyramid,  a cornercorner with one S(16)Nd3Si trigonal pyramid,  a cornercorner with one S(7)Nd3Si trigonal pyramid, corners with two equivalent S(8)Nd3Si trigonal pyramids, and  an edgeedge with one S(16)Nd3Si trigonal pyramid. In the fourteenth S site, S(14) is bonded in a distorted rectangular see-saw-like geometry to one Nd(1), two equivalent Nd(4), and one Si(1) atom. In the fifteenth S site, S(15) is bonded to one Nd(1), one Nd(3), one Nd(4), and one Nd(5) atom to form a mixture of edge and corner-sharing SNd4 tetrahedra. In the sixteenth S site, S(16) is bonded to one Nd(2), one Nd(3), one Nd(6), and one Si(2) atom to form distorted SNd3Si trigonal pyramids that share  a cornercorner with one S(15)Nd4 tetrahedra,  a cornercorner with one S(13)Nd3Si trigonal pyramid,  a cornercorner with one S(7)Nd3Si trigonal pyramid,  a cornercorner with one S(8)Nd3Si trigonal pyramid, corners with two equivalent S(11)Nd3Si trigonal pyramids,  an edgeedge with one S(13)Nd3Si trigonal pyramid, and  an edgeedge with one S(8)Nd3Si trigonal pyramid. In the seventeenth S site, S(17) is bonded in a distorted T-shaped geometry to one Nd(1), one Nd(6), and one Si(1) atom. is represented by the CIF file [CIF]
data_Nd6Si4S17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.966
_cell_length_b   9.981
_cell_length_c   14.262
_cell_angle_alpha   81.999
_cell_angle_beta   87.012
_cell_angle_gamma   89.287
_symmetry_Int_Tables_number   1
_cell_volume   1262.226
_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  0.632  0.936  0.324  1.0
  Nd  Nd1  1  0.368  0.064  0.676  1.0
  Nd  Nd2  1  0.552  0.261  0.998  1.0
  Nd  Nd3  1  0.915  0.919  0.834  1.0
  Nd  Nd4  1  0.448  0.739  0.002  1.0
  Nd  Nd5  1  0.982  0.232  0.539  1.0
  Nd  Nd6  1  0.894  0.615  0.184  1.0
  Nd  Nd7  1  0.668  0.589  0.658  1.0
  Nd  Nd8  1  0.018  0.768  0.461  1.0
  Nd  Nd9  1  0.106  0.385  0.816  1.0
  Nd  Nd10  1  0.085  0.081  0.166  1.0
  Nd  Nd11  1  0.332  0.411  0.342  1.0
  Si  Si12  1  0.276  0.058  0.394  1.0
  Si  Si13  1  0.769  0.561  0.901  1.0
  Si  Si14  1  0.724  0.942  0.606  1.0
  Si  Si15  1  0.250  0.500  0.584  1.0
  Si  Si16  1  0.750  0.500  0.416  1.0
  Si  Si17  1  0.251  0.060  0.923  1.0
  Si  Si18  1  0.231  0.439  0.099  1.0
  Si  Si19  1  0.749  0.940  0.077  1.0
  S  S20  1  0.355  0.531  0.707  1.0
  S  S21  1  0.108  0.201  0.345  1.0
  S  S22  1  0.304  0.912  0.301  1.0
  S  S23  1  0.383  0.212  0.839  1.0
  S  S24  1  0.042  0.149  0.952  1.0
  S  S25  1  0.645  0.469  0.293  1.0
  S  S26  1  0.321  0.482  0.957  1.0
  S  S27  1  0.892  0.799  0.655  1.0
  S  S28  1  0.297  0.308  0.541  1.0
  S  S29  1  0.660  0.999  0.943  1.0
  S  S30  1  0.307  0.633  0.461  1.0
  S  S31  1  0.991  0.627  0.885  1.0
  S  S32  1  0.743  0.115  0.148  1.0
  S  S33  1  0.985  0.507  0.377  1.0
  S  S34  1  0.752  0.386  0.832  1.0
  S  S35  1  0.696  0.088  0.699  1.0
  S  S36  1  0.815  0.020  0.469  1.0
  S  S37  1  0.703  0.692  0.459  1.0
  S  S38  1  0.067  0.143  0.721  1.0
  S  S39  1  0.185  0.980  0.531  1.0
  S  S40  1  0.617  0.788  0.161  1.0
  S  S41  1  0.009  0.373  0.115  1.0
  S  S42  1  0.340  0.001  0.057  1.0
  S  S43  1  0.257  0.885  0.852  1.0
  S  S44  1  0.367  0.283  0.166  1.0
  S  S45  1  0.248  0.614  0.168  1.0
  S  S46  1  0.958  0.851  0.048  1.0
  S  S47  1  0.483  0.154  0.397  1.0
  S  S48  1  0.693  0.367  0.539  1.0
  S  S49  1  0.517  0.846  0.603  1.0
  S  S50  1  0.015  0.493  0.623  1.0
  S  S51  1  0.633  0.717  0.834  1.0
  S  S52  1  0.679  0.518  0.043  1.0
  S  S53  1  0.933  0.857  0.279  1.0
[/CIF]
.