The crystal structure described by Nd7(S2Cl3)3 is Baddeleyite-derived structured and crystallizes in the monoclinic P2/c space group. There are four inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to four equivalent S(2) and four equivalent Cl(4) atoms. In the second Nd site, Nd(2) is bonded to two equivalent S(1), two equivalent S(2), one Cl(4), and two equivalent Cl(1) atoms to form a mixture of distorted corner and edge-sharing NdS4Cl3 pentagonal bipyramids. In the third Nd site, Nd(3) is bonded in a 7-coordinate geometry to two equivalent S(3), one Cl(3), two equivalent Cl(2), and two equivalent Cl(5) atoms. In the fourth Nd site, Nd(4) is bonded to two equivalent S(1), two equivalent S(3), one Cl(1), and two equivalent Cl(3) atoms to form a mixture of distorted corner and edge-sharing NdS4Cl3 pentagonal bipyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Nd(2) and two equivalent Nd(4) atoms to form a mixture of corner and edge-sharing SNd4 tetrahedra. In the second S site, S(2) is bonded to two equivalent Nd(1) and two equivalent Nd(2) atoms to form a mixture of corner and edge-sharing SNd4 tetrahedra. In the third S site, S(3) is bonded to two equivalent Nd(3) and two equivalent Nd(4) atoms to form SNd4 tetrahedra that share corners with two equivalent S(1)Nd4 tetrahedra, corners with two equivalent Cl(5)Nd4 tetrahedra,  an edgeedge with one S(1)Nd4 tetrahedra,  an edgeedge with one Cl(5)Nd4 tetrahedra, and edges with two equivalent S(3)Nd4 tetrahedra. There are five inequivalent Cl sites. In the first Cl site, Cl(5) is bonded to four equivalent Nd(3) atoms to form ClNd4 tetrahedra that share corners with four equivalent S(3)Nd4 tetrahedra, edges with two equivalent S(3)Nd4 tetrahedra, and edges with two equivalent Cl(5)Nd4 tetrahedra. In the second Cl site, Cl(1) is bonded in a distorted trigonal planar geometry to one Nd(4) and two equivalent Nd(2) atoms. In the third Cl site, Cl(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Nd(3) atoms. In the fourth Cl site, Cl(3) is bonded in a trigonal planar geometry to one Nd(3) and two equivalent Nd(4) atoms. In the fifth Cl site, Cl(4) is bonded in a 3-coordinate geometry to one Nd(2) and two equivalent Nd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd7(S2Cl3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.743
_cell_length_b   7.018
_cell_length_c   24.575
_cell_angle_alpha   82.242
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1152.340
_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  0.711  0.750  0.000  1.0
  Nd  Nd1  1  0.304  0.876  0.857  1.0
  Nd  Nd2  1  0.717  0.507  0.579  1.0
  Nd  Nd3  1  0.289  0.250  0.000  1.0
  Nd  Nd4  1  0.696  0.376  0.857  1.0
  Nd  Nd5  1  0.695  0.637  0.284  1.0
  Nd  Nd6  1  0.283  0.007  0.579  1.0
  Nd  Nd7  1  0.305  0.363  0.716  1.0
  Nd  Nd8  1  0.695  0.863  0.716  1.0
  Nd  Nd9  1  0.305  0.137  0.284  1.0
  Nd  Nd10  1  0.717  0.993  0.421  1.0
  Nd  Nd11  1  0.696  0.124  0.143  1.0
  Nd  Nd12  1  0.283  0.493  0.421  1.0
  Nd  Nd13  1  0.304  0.624  0.143  1.0
  S  S14  1  0.448  0.618  0.783  1.0
  S  S15  1  0.465  0.926  0.071  1.0
  S  S16  1  0.552  0.382  0.217  1.0
  S  S17  1  0.465  0.574  0.929  1.0
  S  S18  1  0.535  0.426  0.071  1.0
  S  S19  1  0.448  0.812  0.359  1.0
  S  S20  1  0.552  0.188  0.641  1.0
  S  S21  1  0.535  0.074  0.929  1.0
  S  S22  1  0.552  0.312  0.359  1.0
  S  S23  1  0.552  0.118  0.783  1.0
  S  S24  1  0.448  0.688  0.641  1.0
  S  S25  1  0.448  0.882  0.217  1.0
  Cl  Cl26  1  0.932  0.732  0.811  1.0
  Cl  Cl27  1  0.068  0.268  0.189  1.0
  Cl  Cl28  1  0.895  0.623  0.442  1.0
  Cl  Cl29  1  0.084  0.031  0.681  1.0
  Cl  Cl30  1  0.084  0.469  0.319  1.0
  Cl  Cl31  1  0.956  0.437  0.940  1.0
  Cl  Cl32  1  0.552  0.250  0.500  1.0
  Cl  Cl33  1  0.105  0.377  0.558  1.0
  Cl  Cl34  1  0.044  0.563  0.060  1.0
  Cl  Cl35  1  0.895  0.877  0.558  1.0
  Cl  Cl36  1  0.916  0.531  0.681  1.0
  Cl  Cl37  1  0.448  0.750  0.500  1.0
  Cl  Cl38  1  0.105  0.123  0.442  1.0
  Cl  Cl39  1  0.916  0.969  0.319  1.0
  Cl  Cl40  1  0.956  0.063  0.060  1.0
  Cl  Cl41  1  0.932  0.768  0.189  1.0
  Cl  Cl42  1  0.044  0.937  0.940  1.0
  Cl  Cl43  1  0.068  0.232  0.811  1.0
[/CIF]
.
The crystal structure described by Nd7(S2Cl3)3 is Baddeleyite-derived structured and crystallizes in the monoclinic P2/c space group. There are four inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to four equivalent S(2) and four equivalent Cl(4) atoms. In the second Nd site, Nd(2) is bonded to two equivalent S(1), two equivalent S(2), one Cl(4), and two equivalent Cl(1) atoms to form a mixture of distorted corner and edge-sharing NdS4Cl3 pentagonal bipyramids. In the third Nd site, Nd(3) is bonded in a 7-coordinate geometry to two equivalent S(3), one Cl(3), two equivalent Cl(2), and two equivalent Cl(5) atoms. In the fourth Nd site, Nd(4) is bonded to two equivalent S(1), two equivalent S(3), one Cl(1), and two equivalent Cl(3) atoms to form a mixture of distorted corner and edge-sharing NdS4Cl3 pentagonal bipyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Nd(2) and two equivalent Nd(4) atoms to form a mixture of corner and edge-sharing SNd4 tetrahedra. In the second S site, S(2) is bonded to two equivalent Nd(1) and two equivalent Nd(2) atoms to form a mixture of corner and edge-sharing SNd4 tetrahedra. In the third S site, S(3) is bonded to two equivalent Nd(3) and two equivalent Nd(4) atoms to form SNd4 tetrahedra that share corners with two equivalent S(1)Nd4 tetrahedra, corners with two equivalent Cl(5)Nd4 tetrahedra,  an edgeedge with one S(1)Nd4 tetrahedra,  an edgeedge with one Cl(5)Nd4 tetrahedra, and edges with two equivalent S(3)Nd4 tetrahedra. There are five inequivalent Cl sites. In the first Cl site, Cl(5) is bonded to four equivalent Nd(3) atoms to form ClNd4 tetrahedra that share corners with four equivalent S(3)Nd4 tetrahedra, edges with two equivalent S(3)Nd4 tetrahedra, and edges with two equivalent Cl(5)Nd4 tetrahedra. In the second Cl site, Cl(1) is bonded in a distorted trigonal planar geometry to one Nd(4) and two equivalent Nd(2) atoms. In the third Cl site, Cl(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Nd(3) atoms. In the fourth Cl site, Cl(3) is bonded in a trigonal planar geometry to one Nd(3) and two equivalent Nd(4) atoms. In the fifth Cl site, Cl(4) is bonded in a 3-coordinate geometry to one Nd(2) and two equivalent Nd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd7(S2Cl3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.743
_cell_length_b   7.018
_cell_length_c   24.575
_cell_angle_alpha   82.242
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1152.340
_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  0.711  0.750  0.000  1.0
  Nd  Nd1  1  0.304  0.876  0.857  1.0
  Nd  Nd2  1  0.717  0.507  0.579  1.0
  Nd  Nd3  1  0.289  0.250  0.000  1.0
  Nd  Nd4  1  0.696  0.376  0.857  1.0
  Nd  Nd5  1  0.695  0.637  0.284  1.0
  Nd  Nd6  1  0.283  0.007  0.579  1.0
  Nd  Nd7  1  0.305  0.363  0.716  1.0
  Nd  Nd8  1  0.695  0.863  0.716  1.0
  Nd  Nd9  1  0.305  0.137  0.284  1.0
  Nd  Nd10  1  0.717  0.993  0.421  1.0
  Nd  Nd11  1  0.696  0.124  0.143  1.0
  Nd  Nd12  1  0.283  0.493  0.421  1.0
  Nd  Nd13  1  0.304  0.624  0.143  1.0
  S  S14  1  0.448  0.618  0.783  1.0
  S  S15  1  0.465  0.926  0.071  1.0
  S  S16  1  0.552  0.382  0.217  1.0
  S  S17  1  0.465  0.574  0.929  1.0
  S  S18  1  0.535  0.426  0.071  1.0
  S  S19  1  0.448  0.812  0.359  1.0
  S  S20  1  0.552  0.188  0.641  1.0
  S  S21  1  0.535  0.074  0.929  1.0
  S  S22  1  0.552  0.312  0.359  1.0
  S  S23  1  0.552  0.118  0.783  1.0
  S  S24  1  0.448  0.688  0.641  1.0
  S  S25  1  0.448  0.882  0.217  1.0
  Cl  Cl26  1  0.932  0.732  0.811  1.0
  Cl  Cl27  1  0.068  0.268  0.189  1.0
  Cl  Cl28  1  0.895  0.623  0.442  1.0
  Cl  Cl29  1  0.084  0.031  0.681  1.0
  Cl  Cl30  1  0.084  0.469  0.319  1.0
  Cl  Cl31  1  0.956  0.437  0.940  1.0
  Cl  Cl32  1  0.552  0.250  0.500  1.0
  Cl  Cl33  1  0.105  0.377  0.558  1.0
  Cl  Cl34  1  0.044  0.563  0.060  1.0
  Cl  Cl35  1  0.895  0.877  0.558  1.0
  Cl  Cl36  1  0.916  0.531  0.681  1.0
  Cl  Cl37  1  0.448  0.750  0.500  1.0
  Cl  Cl38  1  0.105  0.123  0.442  1.0
  Cl  Cl39  1  0.916  0.969  0.319  1.0
  Cl  Cl40  1  0.956  0.063  0.060  1.0
  Cl  Cl41  1  0.932  0.768  0.189  1.0
  Cl  Cl42  1  0.044  0.937  0.940  1.0
  Cl  Cl43  1  0.068  0.232  0.811  1.0
[/CIF]
.