The crystal structure described by Nd3S2Cl5 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to two equivalent S(1), one Cl(2), two equivalent Cl(3), and three equivalent Cl(4) atoms. In the second Nd site, Nd(2) is bonded in a 7-coordinate geometry to two equivalent S(2), two equivalent Cl(5), and three equivalent Cl(1) atoms. In the third Nd site, Nd(3) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), one Cl(3), one Cl(5), and two equivalent Cl(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Nd(1) and two equivalent Nd(3) atoms to form a mixture of edge and corner-sharing SNd4 tetrahedra. In the second S site, S(2) is bonded to two equivalent Nd(2) and two equivalent Nd(3) atoms to form a mixture of edge and corner-sharing SNd4 tetrahedra. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a trigonal non-coplanar geometry to three equivalent Nd(2) atoms. In the second Cl site, Cl(2) is bonded in a 2-coordinate geometry to one Nd(1) and two equivalent Nd(3) atoms. In the third Cl site, Cl(3) is bonded in a 3-coordinate geometry to one Nd(3) and two equivalent Nd(1) atoms. In the fourth Cl site, Cl(4) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nd(1) atoms. In the fifth Cl site, Cl(5) is bonded in a distorted trigonal planar geometry to one Nd(3) and two equivalent Nd(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd3S2Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.595
_cell_length_b   7.083
_cell_length_c   21.977
_cell_angle_alpha   82.196
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1017.150
_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  0.955  0.337  0.099  1.0
  Nd  Nd1  1  0.545  0.705  0.404  1.0
  Nd  Nd2  1  0.045  0.663  0.901  1.0
  Nd  Nd3  1  0.544  0.358  0.251  1.0
  Nd  Nd4  1  0.545  0.837  0.099  1.0
  Nd  Nd5  1  0.044  0.142  0.749  1.0
  Nd  Nd6  1  0.956  0.858  0.251  1.0
  Nd  Nd7  1  0.456  0.642  0.749  1.0
  Nd  Nd8  1  0.955  0.205  0.404  1.0
  Nd  Nd9  1  0.455  0.295  0.596  1.0
  Nd  Nd10  1  0.455  0.163  0.901  1.0
  Nd  Nd11  1  0.045  0.795  0.596  1.0
  S  S12  1  0.311  0.902  0.826  1.0
  S  S13  1  0.189  0.402  0.826  1.0
  S  S14  1  0.312  0.966  0.668  1.0
  S  S15  1  0.688  0.034  0.332  1.0
  S  S16  1  0.812  0.534  0.332  1.0
  S  S17  1  0.811  0.598  0.174  1.0
  S  S18  1  0.188  0.466  0.668  1.0
  S  S19  1  0.689  0.098  0.174  1.0
  Cl  Cl20  1  0.729  0.397  0.488  1.0
  Cl  Cl21  1  0.771  0.897  0.488  1.0
  Cl  Cl22  1  0.863  0.775  0.754  1.0
  Cl  Cl23  1  0.229  0.103  0.512  1.0
  Cl  Cl24  1  0.346  0.480  0.120  1.0
  Cl  Cl25  1  0.819  0.658  0.018  1.0
  Cl  Cl26  1  0.154  0.980  0.120  1.0
  Cl  Cl27  1  0.654  0.520  0.880  1.0
  Cl  Cl28  1  0.637  0.275  0.754  1.0
  Cl  Cl29  1  0.669  0.619  0.626  1.0
  Cl  Cl30  1  0.169  0.881  0.374  1.0
  Cl  Cl31  1  0.363  0.725  0.246  1.0
  Cl  Cl32  1  0.681  0.158  0.018  1.0
  Cl  Cl33  1  0.319  0.842  0.982  1.0
  Cl  Cl34  1  0.181  0.342  0.982  1.0
  Cl  Cl35  1  0.331  0.381  0.374  1.0
  Cl  Cl36  1  0.271  0.603  0.512  1.0
  Cl  Cl37  1  0.137  0.225  0.246  1.0
  Cl  Cl38  1  0.831  0.119  0.626  1.0
  Cl  Cl39  1  0.846  0.020  0.880  1.0
[/CIF]
.
The crystal structure described by Nd3S2Cl5 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to two equivalent S(1), one Cl(2), two equivalent Cl(3), and three equivalent Cl(4) atoms. In the second Nd site, Nd(2) is bonded in a 7-coordinate geometry to two equivalent S(2), two equivalent Cl(5), and three equivalent Cl(1) atoms. In the third Nd site, Nd(3) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), one Cl(3), one Cl(5), and two equivalent Cl(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Nd(1) and two equivalent Nd(3) atoms to form a mixture of edge and corner-sharing SNd4 tetrahedra. In the second S site, S(2) is bonded to two equivalent Nd(2) and two equivalent Nd(3) atoms to form a mixture of edge and corner-sharing SNd4 tetrahedra. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a trigonal non-coplanar geometry to three equivalent Nd(2) atoms. In the second Cl site, Cl(2) is bonded in a 2-coordinate geometry to one Nd(1) and two equivalent Nd(3) atoms. In the third Cl site, Cl(3) is bonded in a 3-coordinate geometry to one Nd(3) and two equivalent Nd(1) atoms. In the fourth Cl site, Cl(4) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nd(1) atoms. In the fifth Cl site, Cl(5) is bonded in a distorted trigonal planar geometry to one Nd(3) and two equivalent Nd(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd3S2Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.595
_cell_length_b   7.083
_cell_length_c   21.977
_cell_angle_alpha   82.196
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1017.150
_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  0.955  0.337  0.099  1.0
  Nd  Nd1  1  0.545  0.705  0.404  1.0
  Nd  Nd2  1  0.045  0.663  0.901  1.0
  Nd  Nd3  1  0.544  0.358  0.251  1.0
  Nd  Nd4  1  0.545  0.837  0.099  1.0
  Nd  Nd5  1  0.044  0.142  0.749  1.0
  Nd  Nd6  1  0.956  0.858  0.251  1.0
  Nd  Nd7  1  0.456  0.642  0.749  1.0
  Nd  Nd8  1  0.955  0.205  0.404  1.0
  Nd  Nd9  1  0.455  0.295  0.596  1.0
  Nd  Nd10  1  0.455  0.163  0.901  1.0
  Nd  Nd11  1  0.045  0.795  0.596  1.0
  S  S12  1  0.311  0.902  0.826  1.0
  S  S13  1  0.189  0.402  0.826  1.0
  S  S14  1  0.312  0.966  0.668  1.0
  S  S15  1  0.688  0.034  0.332  1.0
  S  S16  1  0.812  0.534  0.332  1.0
  S  S17  1  0.811  0.598  0.174  1.0
  S  S18  1  0.188  0.466  0.668  1.0
  S  S19  1  0.689  0.098  0.174  1.0
  Cl  Cl20  1  0.729  0.397  0.488  1.0
  Cl  Cl21  1  0.771  0.897  0.488  1.0
  Cl  Cl22  1  0.863  0.775  0.754  1.0
  Cl  Cl23  1  0.229  0.103  0.512  1.0
  Cl  Cl24  1  0.346  0.480  0.120  1.0
  Cl  Cl25  1  0.819  0.658  0.018  1.0
  Cl  Cl26  1  0.154  0.980  0.120  1.0
  Cl  Cl27  1  0.654  0.520  0.880  1.0
  Cl  Cl28  1  0.637  0.275  0.754  1.0
  Cl  Cl29  1  0.669  0.619  0.626  1.0
  Cl  Cl30  1  0.169  0.881  0.374  1.0
  Cl  Cl31  1  0.363  0.725  0.246  1.0
  Cl  Cl32  1  0.681  0.158  0.018  1.0
  Cl  Cl33  1  0.319  0.842  0.982  1.0
  Cl  Cl34  1  0.181  0.342  0.982  1.0
  Cl  Cl35  1  0.331  0.381  0.374  1.0
  Cl  Cl36  1  0.271  0.603  0.512  1.0
  Cl  Cl37  1  0.137  0.225  0.246  1.0
  Cl  Cl38  1  0.831  0.119  0.626  1.0
  Cl  Cl39  1  0.846  0.020  0.880  1.0
[/CIF]
.