The compound described by Nd(ErS2)3 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Er sites. In the first Er site, Er(1) is bonded to one S(2), one S(5), two equivalent S(6), and three equivalent S(1) atoms to form distorted ErS7 pentagonal bipyramids that share  a cornercorner with one Er(2)S6 octahedra, corners with two equivalent Er(3)S6 octahedra, edges with two equivalent Er(2)S6 octahedra, and edges with four equivalent Er(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 39-51°. In the second Er site, Er(2) is bonded to one S(1), two equivalent S(5), and three equivalent S(3) atoms to form ErS6 octahedra that share corners with three equivalent Er(3)S6 octahedra,  a cornercorner with one Er(1)S7 pentagonal bipyramid, edges with four equivalent Er(2)S6 octahedra, and edges with two equivalent Er(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 55-62°. In the third Er site, Er(3) is bonded to one S(3), two equivalent S(2), and three equivalent S(4) atoms to form ErS6 octahedra that share corners with three equivalent Er(2)S6 octahedra, corners with two equivalent Er(1)S7 pentagonal bipyramids, and edges with four equivalent Er(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. Nd(1) is bonded in a 8-coordinate geometry to one S(2), two equivalent S(4), two equivalent S(5), and three equivalent S(6) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded to one Er(2) and three equivalent Er(1) atoms to form distorted SEr4 trigonal pyramids that share  a cornercorner with one S(5)Nd2Er3 trigonal bipyramid, corners with four equivalent S(6)Nd3Er2 trigonal bipyramids, corners with two equivalent S(1)Er4 trigonal pyramids, corners with three equivalent S(2)NdEr3 trigonal pyramids,  an edgeedge with one S(6)Nd3Er2 trigonal bipyramid, edges with two equivalent S(5)Nd2Er3 trigonal bipyramids, and edges with two equivalent S(1)Er4 trigonal pyramids. In the second S site, S(2) is bonded to one Er(1), two equivalent Er(3), and one Nd(1) atom to form distorted SNdEr3 trigonal pyramids that share corners with two equivalent S(4)Nd2Er3 square pyramids,  a cornercorner with one S(6)Nd3Er2 trigonal bipyramid, corners with three equivalent S(5)Nd2Er3 trigonal bipyramids, corners with two equivalent S(2)NdEr3 trigonal pyramids, corners with three equivalent S(1)Er4 trigonal pyramids, edges with three equivalent S(4)Nd2Er3 square pyramids, and edges with two equivalent S(6)Nd3Er2 trigonal bipyramids. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Er(3) and three equivalent Er(2) atoms. In the fourth S site, S(4) is bonded to three equivalent Er(3) and two equivalent Nd(1) atoms to form SNd2Er3 square pyramids that share corners with two equivalent S(5)Nd2Er3 trigonal bipyramids, corners with four equivalent S(6)Nd3Er2 trigonal bipyramids, corners with two equivalent S(2)NdEr3 trigonal pyramids, edges with four equivalent S(4)Nd2Er3 square pyramids,  an edgeedge with one S(5)Nd2Er3 trigonal bipyramid,  an edgeedge with one S(6)Nd3Er2 trigonal bipyramid, and edges with three equivalent S(2)NdEr3 trigonal pyramids. In the fifth S site, S(5) is bonded to one Er(1), two equivalent Er(2), and two equivalent Nd(1) atoms to form distorted SNd2Er3 trigonal bipyramids that share corners with two equivalent S(4)Nd2Er3 square pyramids, corners with two equivalent S(6)Nd3Er2 trigonal bipyramids,  a cornercorner with one S(1)Er4 trigonal pyramid, corners with three equivalent S(2)NdEr3 trigonal pyramids,  an edgeedge with one S(4)Nd2Er3 square pyramid, edges with two equivalent S(5)Nd2Er3 trigonal bipyramids, edges with three equivalent S(6)Nd3Er2 trigonal bipyramids, and edges with two equivalent S(1)Er4 trigonal pyramids. In the sixth S site, S(6) is bonded to two equivalent Er(1) and three equivalent Nd(1) atoms to form distorted SNd3Er2 trigonal bipyramids that share corners with four equivalent S(4)Nd2Er3 square pyramids, corners with two equivalent S(5)Nd2Er3 trigonal bipyramids,  a cornercorner with one S(2)NdEr3 trigonal pyramid, corners with four equivalent S(1)Er4 trigonal pyramids,  an edgeedge with one S(4)Nd2Er3 square pyramid, edges with three equivalent S(5)Nd2Er3 trigonal bipyramids, edges with four equivalent S(6)Nd3Er2 trigonal bipyramids,  an edgeedge with one S(1)Er4 trigonal pyramid, and edges with two equivalent S(2)NdEr3 trigonal pyramids. is represented by the CIF card [CIF]
data_Nd(ErS2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.951
_cell_length_b   10.987
_cell_length_c   11.254
_cell_angle_alpha   71.162
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   462.364
_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  0.750  0.549  0.805  1.0
  Nd  Nd1  1  0.250  0.451  0.195  1.0
  Er  Er2  1  0.750  0.180  0.998  1.0
  Er  Er3  1  0.250  0.820  0.002  1.0
  Er  Er4  1  0.750  0.940  0.667  1.0
  Er  Er5  1  0.250  0.060  0.333  1.0
  Er  Er6  1  0.750  0.662  0.413  1.0
  Er  Er7  1  0.250  0.338  0.587  1.0
  S  S8  1  0.750  0.978  0.888  1.0
  S  S9  1  0.250  0.022  0.112  1.0
  S  S10  1  0.750  0.303  0.749  1.0
  S  S11  1  0.250  0.697  0.251  1.0
  S  S12  1  0.750  0.895  0.441  1.0
  S  S13  1  0.250  0.105  0.559  1.0
  S  S14  1  0.750  0.418  0.407  1.0
  S  S15  1  0.250  0.582  0.593  1.0
  S  S16  1  0.750  0.235  0.228  1.0
  S  S17  1  0.250  0.765  0.772  1.0
  S  S18  1  0.750  0.619  0.036  1.0
  S  S19  1  0.250  0.381  0.964  1.0
[/CIF]
.
The compound described by Nd(ErS2)3 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Er sites. In the first Er site, Er(1) is bonded to one S(2), one S(5), two equivalent S(6), and three equivalent S(1) atoms to form distorted ErS7 pentagonal bipyramids that share  a cornercorner with one Er(2)S6 octahedra, corners with two equivalent Er(3)S6 octahedra, edges with two equivalent Er(2)S6 octahedra, and edges with four equivalent Er(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 39-51°. In the second Er site, Er(2) is bonded to one S(1), two equivalent S(5), and three equivalent S(3) atoms to form ErS6 octahedra that share corners with three equivalent Er(3)S6 octahedra,  a cornercorner with one Er(1)S7 pentagonal bipyramid, edges with four equivalent Er(2)S6 octahedra, and edges with two equivalent Er(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 55-62°. In the third Er site, Er(3) is bonded to one S(3), two equivalent S(2), and three equivalent S(4) atoms to form ErS6 octahedra that share corners with three equivalent Er(2)S6 octahedra, corners with two equivalent Er(1)S7 pentagonal bipyramids, and edges with four equivalent Er(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. Nd(1) is bonded in a 8-coordinate geometry to one S(2), two equivalent S(4), two equivalent S(5), and three equivalent S(6) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded to one Er(2) and three equivalent Er(1) atoms to form distorted SEr4 trigonal pyramids that share  a cornercorner with one S(5)Nd2Er3 trigonal bipyramid, corners with four equivalent S(6)Nd3Er2 trigonal bipyramids, corners with two equivalent S(1)Er4 trigonal pyramids, corners with three equivalent S(2)NdEr3 trigonal pyramids,  an edgeedge with one S(6)Nd3Er2 trigonal bipyramid, edges with two equivalent S(5)Nd2Er3 trigonal bipyramids, and edges with two equivalent S(1)Er4 trigonal pyramids. In the second S site, S(2) is bonded to one Er(1), two equivalent Er(3), and one Nd(1) atom to form distorted SNdEr3 trigonal pyramids that share corners with two equivalent S(4)Nd2Er3 square pyramids,  a cornercorner with one S(6)Nd3Er2 trigonal bipyramid, corners with three equivalent S(5)Nd2Er3 trigonal bipyramids, corners with two equivalent S(2)NdEr3 trigonal pyramids, corners with three equivalent S(1)Er4 trigonal pyramids, edges with three equivalent S(4)Nd2Er3 square pyramids, and edges with two equivalent S(6)Nd3Er2 trigonal bipyramids. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Er(3) and three equivalent Er(2) atoms. In the fourth S site, S(4) is bonded to three equivalent Er(3) and two equivalent Nd(1) atoms to form SNd2Er3 square pyramids that share corners with two equivalent S(5)Nd2Er3 trigonal bipyramids, corners with four equivalent S(6)Nd3Er2 trigonal bipyramids, corners with two equivalent S(2)NdEr3 trigonal pyramids, edges with four equivalent S(4)Nd2Er3 square pyramids,  an edgeedge with one S(5)Nd2Er3 trigonal bipyramid,  an edgeedge with one S(6)Nd3Er2 trigonal bipyramid, and edges with three equivalent S(2)NdEr3 trigonal pyramids. In the fifth S site, S(5) is bonded to one Er(1), two equivalent Er(2), and two equivalent Nd(1) atoms to form distorted SNd2Er3 trigonal bipyramids that share corners with two equivalent S(4)Nd2Er3 square pyramids, corners with two equivalent S(6)Nd3Er2 trigonal bipyramids,  a cornercorner with one S(1)Er4 trigonal pyramid, corners with three equivalent S(2)NdEr3 trigonal pyramids,  an edgeedge with one S(4)Nd2Er3 square pyramid, edges with two equivalent S(5)Nd2Er3 trigonal bipyramids, edges with three equivalent S(6)Nd3Er2 trigonal bipyramids, and edges with two equivalent S(1)Er4 trigonal pyramids. In the sixth S site, S(6) is bonded to two equivalent Er(1) and three equivalent Nd(1) atoms to form distorted SNd3Er2 trigonal bipyramids that share corners with four equivalent S(4)Nd2Er3 square pyramids, corners with two equivalent S(5)Nd2Er3 trigonal bipyramids,  a cornercorner with one S(2)NdEr3 trigonal pyramid, corners with four equivalent S(1)Er4 trigonal pyramids,  an edgeedge with one S(4)Nd2Er3 square pyramid, edges with three equivalent S(5)Nd2Er3 trigonal bipyramids, edges with four equivalent S(6)Nd3Er2 trigonal bipyramids,  an edgeedge with one S(1)Er4 trigonal pyramid, and edges with two equivalent S(2)NdEr3 trigonal pyramids. is represented by the CIF card [CIF]
data_Nd(ErS2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.951
_cell_length_b   10.987
_cell_length_c   11.254
_cell_angle_alpha   71.162
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   462.364
_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  0.750  0.549  0.805  1.0
  Nd  Nd1  1  0.250  0.451  0.195  1.0
  Er  Er2  1  0.750  0.180  0.998  1.0
  Er  Er3  1  0.250  0.820  0.002  1.0
  Er  Er4  1  0.750  0.940  0.667  1.0
  Er  Er5  1  0.250  0.060  0.333  1.0
  Er  Er6  1  0.750  0.662  0.413  1.0
  Er  Er7  1  0.250  0.338  0.587  1.0
  S  S8  1  0.750  0.978  0.888  1.0
  S  S9  1  0.250  0.022  0.112  1.0
  S  S10  1  0.750  0.303  0.749  1.0
  S  S11  1  0.250  0.697  0.251  1.0
  S  S12  1  0.750  0.895  0.441  1.0
  S  S13  1  0.250  0.105  0.559  1.0
  S  S14  1  0.750  0.418  0.407  1.0
  S  S15  1  0.250  0.582  0.593  1.0
  S  S16  1  0.750  0.235  0.228  1.0
  S  S17  1  0.250  0.765  0.772  1.0
  S  S18  1  0.750  0.619  0.036  1.0
  S  S19  1  0.250  0.381  0.964  1.0
[/CIF]
.