The structure described by Nd3CrS6 crystallizes in the orthorhombic Pnnm space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one S(4), one S(6), two equivalent S(1), two equivalent S(2), and two equivalent S(5) atoms. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to one S(4), one S(5), two equivalent S(2), two equivalent S(3), and two equivalent S(6) atoms. In the third Nd site, Nd(3) is bonded to one S(1), one S(2), one S(4), two equivalent S(3), and two equivalent S(5) atoms to form distorted NdS7 pentagonal bipyramids that share  a cornercorner with one Cr(2)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with two equivalent Nd(3)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 29°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent S(3) and four equivalent S(4) atoms to form CrS6 octahedra that share edges with two equivalent Cr(1)S6 octahedra and edges with four equivalent Nd(3)S7 pentagonal bipyramids. In the second Cr site, Cr(2) is bonded to two equivalent S(1) and four equivalent S(6) atoms to form CrS6 octahedra that share corners with two equivalent Nd(3)S7 pentagonal bipyramids and edges with two equivalent Cr(2)S6 octahedra. There are six inequivalent S sites. In the first S site, S(5) is bonded to one Nd(2), two equivalent Nd(1), and two equivalent Nd(3) atoms to form distorted SNd5 trigonal bipyramids that share  a cornercorner with one S(4)Nd3Cr2 trigonal bipyramid, corners with two equivalent S(2)Nd5 trigonal bipyramids, corners with four equivalent S(3)Nd4Cr trigonal bipyramids,  an edgeedge with one S(3)Nd4Cr trigonal bipyramid, edges with two equivalent S(4)Nd3Cr2 trigonal bipyramids, edges with two equivalent S(6)Nd3Cr2 trigonal bipyramids, edges with two equivalent S(5)Nd5 trigonal bipyramids, and edges with three equivalent S(2)Nd5 trigonal bipyramids. In the second S site, S(6) is bonded to one Nd(1), two equivalent Nd(2), and two equivalent Cr(2) atoms to form distorted SNd3Cr2 trigonal bipyramids that share corners with two equivalent S(6)Nd3Cr2 trigonal bipyramids, corners with two equivalent S(3)Nd4Cr trigonal bipyramids, corners with three equivalent S(4)Nd3Cr2 trigonal bipyramids, corners with four equivalent S(2)Nd5 trigonal bipyramids,  an edgeedge with one S(3)Nd4Cr trigonal bipyramid,  an edgeedge with one S(2)Nd5 trigonal bipyramid, edges with two equivalent S(5)Nd5 trigonal bipyramids, and edges with three equivalent S(6)Nd3Cr2 trigonal bipyramids. In the third S site, S(1) is bonded in a 4-coordinate geometry to one Nd(3), two equivalent Nd(1), and one Cr(2) atom. In the fourth S site, S(2) is bonded to one Nd(3), two equivalent Nd(1), and two equivalent Nd(2) atoms to form SNd5 trigonal bipyramids that share  a cornercorner with one S(4)Nd3Cr2 trigonal bipyramid, corners with two equivalent S(5)Nd5 trigonal bipyramids, corners with four equivalent S(6)Nd3Cr2 trigonal bipyramids, corners with four equivalent S(3)Nd4Cr trigonal bipyramids,  an edgeedge with one S(6)Nd3Cr2 trigonal bipyramid,  an edgeedge with one S(3)Nd4Cr trigonal bipyramid, edges with two equivalent S(4)Nd3Cr2 trigonal bipyramids, edges with two equivalent S(2)Nd5 trigonal bipyramids, and edges with three equivalent S(5)Nd5 trigonal bipyramids. In the fifth S site, S(3) is bonded to two equivalent Nd(2), two equivalent Nd(3), and one Cr(1) atom to form distorted SNd4Cr trigonal bipyramids that share  a cornercorner with one S(3)Nd4Cr trigonal bipyramid, corners with two equivalent S(6)Nd3Cr2 trigonal bipyramids, corners with four equivalent S(2)Nd5 trigonal bipyramids, corners with four equivalent S(5)Nd5 trigonal bipyramids,  an edgeedge with one S(6)Nd3Cr2 trigonal bipyramid,  an edgeedge with one S(2)Nd5 trigonal bipyramid,  an edgeedge with one S(5)Nd5 trigonal bipyramid, edges with two equivalent S(3)Nd4Cr trigonal bipyramids, and edges with four equivalent S(4)Nd3Cr2 trigonal bipyramids. In the sixth S site, S(4) is bonded to one Nd(1), one Nd(2), one Nd(3), and two equivalent Cr(1) atoms to form distorted SNd3Cr2 trigonal bipyramids that share  a cornercorner with one S(2)Nd5 trigonal bipyramid,  a cornercorner with one S(5)Nd5 trigonal bipyramid, corners with three equivalent S(6)Nd3Cr2 trigonal bipyramids, corners with four equivalent S(4)Nd3Cr2 trigonal bipyramids,  an edgeedge with one S(4)Nd3Cr2 trigonal bipyramid, edges with two equivalent S(2)Nd5 trigonal bipyramids, edges with two equivalent S(5)Nd5 trigonal bipyramids, and edges with four equivalent S(3)Nd4Cr trigonal bipyramids. is represented by the CIF file [CIF]
data_Nd3CrS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.892
_cell_length_b   13.683
_cell_length_c   16.258
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   865.904
_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  0.000  0.552  0.282  1.0
  Nd  Nd1  1  0.000  0.448  0.718  1.0
  Nd  Nd2  1  0.500  0.948  0.782  1.0
  Nd  Nd3  1  0.500  0.052  0.218  1.0
  Nd  Nd4  1  0.000  0.759  0.097  1.0
  Nd  Nd5  1  0.000  0.241  0.903  1.0
  Nd  Nd6  1  0.500  0.741  0.597  1.0
  Nd  Nd7  1  0.500  0.259  0.403  1.0
  Nd  Nd8  1  0.000  0.320  0.148  1.0
  Nd  Nd9  1  0.000  0.680  0.852  1.0
  Nd  Nd10  1  0.500  0.180  0.648  1.0
  Nd  Nd11  1  0.500  0.820  0.352  1.0
  Cr  Cr12  1  0.000  0.000  0.500  1.0
  Cr  Cr13  1  0.500  0.500  0.000  1.0
  Cr  Cr14  1  0.000  0.000  0.000  1.0
  Cr  Cr15  1  0.500  0.500  0.500  1.0
  S  S16  1  0.000  0.122  0.102  1.0
  S  S17  1  0.000  0.878  0.898  1.0
  S  S18  1  0.500  0.378  0.602  1.0
  S  S19  1  0.500  0.622  0.398  1.0
  S  S20  1  0.000  0.189  0.289  1.0
  S  S21  1  0.000  0.811  0.711  1.0
  S  S22  1  0.500  0.311  0.789  1.0
  S  S23  1  0.500  0.689  0.211  1.0
  S  S24  1  0.000  0.176  0.520  1.0
  S  S25  1  0.000  0.824  0.480  1.0
  S  S26  1  0.500  0.324  0.020  1.0
  S  S27  1  0.500  0.676  0.980  1.0
  S  S28  1  0.000  0.523  0.095  1.0
  S  S29  1  0.000  0.477  0.905  1.0
  S  S30  1  0.500  0.977  0.595  1.0
  S  S31  1  0.500  0.023  0.405  1.0
  S  S32  1  0.000  0.101  0.755  1.0
  S  S33  1  0.000  0.899  0.245  1.0
  S  S34  1  0.500  0.399  0.255  1.0
  S  S35  1  0.500  0.601  0.745  1.0
  S  S36  1  0.000  0.421  0.428  1.0
  S  S37  1  0.000  0.579  0.572  1.0
  S  S38  1  0.500  0.079  0.928  1.0
  S  S39  1  0.500  0.921  0.072  1.0
[/CIF]
.
The structure described by Nd3CrS6 crystallizes in the orthorhombic Pnnm space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one S(4), one S(6), two equivalent S(1), two equivalent S(2), and two equivalent S(5) atoms. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to one S(4), one S(5), two equivalent S(2), two equivalent S(3), and two equivalent S(6) atoms. In the third Nd site, Nd(3) is bonded to one S(1), one S(2), one S(4), two equivalent S(3), and two equivalent S(5) atoms to form distorted NdS7 pentagonal bipyramids that share  a cornercorner with one Cr(2)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with two equivalent Nd(3)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 29°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent S(3) and four equivalent S(4) atoms to form CrS6 octahedra that share edges with two equivalent Cr(1)S6 octahedra and edges with four equivalent Nd(3)S7 pentagonal bipyramids. In the second Cr site, Cr(2) is bonded to two equivalent S(1) and four equivalent S(6) atoms to form CrS6 octahedra that share corners with two equivalent Nd(3)S7 pentagonal bipyramids and edges with two equivalent Cr(2)S6 octahedra. There are six inequivalent S sites. In the first S site, S(5) is bonded to one Nd(2), two equivalent Nd(1), and two equivalent Nd(3) atoms to form distorted SNd5 trigonal bipyramids that share  a cornercorner with one S(4)Nd3Cr2 trigonal bipyramid, corners with two equivalent S(2)Nd5 trigonal bipyramids, corners with four equivalent S(3)Nd4Cr trigonal bipyramids,  an edgeedge with one S(3)Nd4Cr trigonal bipyramid, edges with two equivalent S(4)Nd3Cr2 trigonal bipyramids, edges with two equivalent S(6)Nd3Cr2 trigonal bipyramids, edges with two equivalent S(5)Nd5 trigonal bipyramids, and edges with three equivalent S(2)Nd5 trigonal bipyramids. In the second S site, S(6) is bonded to one Nd(1), two equivalent Nd(2), and two equivalent Cr(2) atoms to form distorted SNd3Cr2 trigonal bipyramids that share corners with two equivalent S(6)Nd3Cr2 trigonal bipyramids, corners with two equivalent S(3)Nd4Cr trigonal bipyramids, corners with three equivalent S(4)Nd3Cr2 trigonal bipyramids, corners with four equivalent S(2)Nd5 trigonal bipyramids,  an edgeedge with one S(3)Nd4Cr trigonal bipyramid,  an edgeedge with one S(2)Nd5 trigonal bipyramid, edges with two equivalent S(5)Nd5 trigonal bipyramids, and edges with three equivalent S(6)Nd3Cr2 trigonal bipyramids. In the third S site, S(1) is bonded in a 4-coordinate geometry to one Nd(3), two equivalent Nd(1), and one Cr(2) atom. In the fourth S site, S(2) is bonded to one Nd(3), two equivalent Nd(1), and two equivalent Nd(2) atoms to form SNd5 trigonal bipyramids that share  a cornercorner with one S(4)Nd3Cr2 trigonal bipyramid, corners with two equivalent S(5)Nd5 trigonal bipyramids, corners with four equivalent S(6)Nd3Cr2 trigonal bipyramids, corners with four equivalent S(3)Nd4Cr trigonal bipyramids,  an edgeedge with one S(6)Nd3Cr2 trigonal bipyramid,  an edgeedge with one S(3)Nd4Cr trigonal bipyramid, edges with two equivalent S(4)Nd3Cr2 trigonal bipyramids, edges with two equivalent S(2)Nd5 trigonal bipyramids, and edges with three equivalent S(5)Nd5 trigonal bipyramids. In the fifth S site, S(3) is bonded to two equivalent Nd(2), two equivalent Nd(3), and one Cr(1) atom to form distorted SNd4Cr trigonal bipyramids that share  a cornercorner with one S(3)Nd4Cr trigonal bipyramid, corners with two equivalent S(6)Nd3Cr2 trigonal bipyramids, corners with four equivalent S(2)Nd5 trigonal bipyramids, corners with four equivalent S(5)Nd5 trigonal bipyramids,  an edgeedge with one S(6)Nd3Cr2 trigonal bipyramid,  an edgeedge with one S(2)Nd5 trigonal bipyramid,  an edgeedge with one S(5)Nd5 trigonal bipyramid, edges with two equivalent S(3)Nd4Cr trigonal bipyramids, and edges with four equivalent S(4)Nd3Cr2 trigonal bipyramids. In the sixth S site, S(4) is bonded to one Nd(1), one Nd(2), one Nd(3), and two equivalent Cr(1) atoms to form distorted SNd3Cr2 trigonal bipyramids that share  a cornercorner with one S(2)Nd5 trigonal bipyramid,  a cornercorner with one S(5)Nd5 trigonal bipyramid, corners with three equivalent S(6)Nd3Cr2 trigonal bipyramids, corners with four equivalent S(4)Nd3Cr2 trigonal bipyramids,  an edgeedge with one S(4)Nd3Cr2 trigonal bipyramid, edges with two equivalent S(2)Nd5 trigonal bipyramids, edges with two equivalent S(5)Nd5 trigonal bipyramids, and edges with four equivalent S(3)Nd4Cr trigonal bipyramids. is represented by the CIF file [CIF]
data_Nd3CrS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.892
_cell_length_b   13.683
_cell_length_c   16.258
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   865.904
_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  0.000  0.552  0.282  1.0
  Nd  Nd1  1  0.000  0.448  0.718  1.0
  Nd  Nd2  1  0.500  0.948  0.782  1.0
  Nd  Nd3  1  0.500  0.052  0.218  1.0
  Nd  Nd4  1  0.000  0.759  0.097  1.0
  Nd  Nd5  1  0.000  0.241  0.903  1.0
  Nd  Nd6  1  0.500  0.741  0.597  1.0
  Nd  Nd7  1  0.500  0.259  0.403  1.0
  Nd  Nd8  1  0.000  0.320  0.148  1.0
  Nd  Nd9  1  0.000  0.680  0.852  1.0
  Nd  Nd10  1  0.500  0.180  0.648  1.0
  Nd  Nd11  1  0.500  0.820  0.352  1.0
  Cr  Cr12  1  0.000  0.000  0.500  1.0
  Cr  Cr13  1  0.500  0.500  0.000  1.0
  Cr  Cr14  1  0.000  0.000  0.000  1.0
  Cr  Cr15  1  0.500  0.500  0.500  1.0
  S  S16  1  0.000  0.122  0.102  1.0
  S  S17  1  0.000  0.878  0.898  1.0
  S  S18  1  0.500  0.378  0.602  1.0
  S  S19  1  0.500  0.622  0.398  1.0
  S  S20  1  0.000  0.189  0.289  1.0
  S  S21  1  0.000  0.811  0.711  1.0
  S  S22  1  0.500  0.311  0.789  1.0
  S  S23  1  0.500  0.689  0.211  1.0
  S  S24  1  0.000  0.176  0.520  1.0
  S  S25  1  0.000  0.824  0.480  1.0
  S  S26  1  0.500  0.324  0.020  1.0
  S  S27  1  0.500  0.676  0.980  1.0
  S  S28  1  0.000  0.523  0.095  1.0
  S  S29  1  0.000  0.477  0.905  1.0
  S  S30  1  0.500  0.977  0.595  1.0
  S  S31  1  0.500  0.023  0.405  1.0
  S  S32  1  0.000  0.101  0.755  1.0
  S  S33  1  0.000  0.899  0.245  1.0
  S  S34  1  0.500  0.399  0.255  1.0
  S  S35  1  0.500  0.601  0.745  1.0
  S  S36  1  0.000  0.421  0.428  1.0
  S  S37  1  0.000  0.579  0.572  1.0
  S  S38  1  0.500  0.079  0.928  1.0
  S  S39  1  0.500  0.921  0.072  1.0
[/CIF]
.