The material structure described by Er3SmS6 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(5), two equivalent S(1), and three equivalent S(2) atoms to form ErS6 octahedra that share corners with three equivalent Er(3)S6 octahedra, corners with two equivalent Er(2)S7 pentagonal bipyramids, and edges with four equivalent Er(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. In the second Er site, Er(2) is bonded to one S(1), one S(6), two equivalent S(3), and three equivalent S(4) atoms to form distorted ErS7 pentagonal bipyramids that share  a cornercorner with one Er(3)S6 octahedra, corners with two equivalent Er(1)S6 octahedra, edges with two equivalent Er(3)S6 octahedra, and edges with four equivalent Er(2)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 38-51°. In the third Er site, Er(3) is bonded to one S(4), two equivalent S(6), and three equivalent S(5) atoms to form ErS6 octahedra that share corners with three equivalent Er(1)S6 octahedra,  a cornercorner with one Er(2)S7 pentagonal bipyramid, edges with four equivalent Er(3)S6 octahedra, and edges with two equivalent Er(2)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 56-61°. Sm(1) is bonded in a 8-coordinate geometry to one S(1), two equivalent S(2), two equivalent S(6), and three equivalent S(3) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded to one Er(2), two equivalent Er(1), and one Sm(1) atom to form distorted SSmEr3 trigonal pyramids that share corners with two equivalent S(2)Sm2Er3 square pyramids,  a cornercorner with one S(3)Sm3Er2 trigonal bipyramid, corners with three equivalent S(6)Sm2Er3 trigonal bipyramids, corners with two equivalent S(1)SmEr3 trigonal pyramids, corners with three equivalent S(4)Er4 trigonal pyramids, edges with three equivalent S(2)Sm2Er3 square pyramids, and edges with two equivalent S(3)Sm3Er2 trigonal bipyramids. In the second S site, S(2) is bonded to three equivalent Er(1) and two equivalent Sm(1) atoms to form SSm2Er3 square pyramids that share corners with two equivalent S(6)Sm2Er3 trigonal bipyramids, corners with four equivalent S(3)Sm3Er2 trigonal bipyramids, corners with two equivalent S(1)SmEr3 trigonal pyramids, edges with four equivalent S(2)Sm2Er3 square pyramids,  an edgeedge with one S(6)Sm2Er3 trigonal bipyramid,  an edgeedge with one S(3)Sm3Er2 trigonal bipyramid, and edges with three equivalent S(1)SmEr3 trigonal pyramids. In the third S site, S(3) is bonded to two equivalent Er(2) and three equivalent Sm(1) atoms to form distorted SSm3Er2 trigonal bipyramids that share corners with four equivalent S(2)Sm2Er3 square pyramids, corners with two equivalent S(6)Sm2Er3 trigonal bipyramids,  a cornercorner with one S(1)SmEr3 trigonal pyramid, corners with four equivalent S(4)Er4 trigonal pyramids,  an edgeedge with one S(2)Sm2Er3 square pyramid, edges with three equivalent S(6)Sm2Er3 trigonal bipyramids, edges with four equivalent S(3)Sm3Er2 trigonal bipyramids,  an edgeedge with one S(4)Er4 trigonal pyramid, and edges with two equivalent S(1)SmEr3 trigonal pyramids. In the fourth S site, S(4) is bonded to one Er(3) and three equivalent Er(2) atoms to form distorted SEr4 trigonal pyramids that share  a cornercorner with one S(6)Sm2Er3 trigonal bipyramid, corners with four equivalent S(3)Sm3Er2 trigonal bipyramids, corners with two equivalent S(4)Er4 trigonal pyramids, corners with three equivalent S(1)SmEr3 trigonal pyramids,  an edgeedge with one S(3)Sm3Er2 trigonal bipyramid, edges with two equivalent S(6)Sm2Er3 trigonal bipyramids, and edges with two equivalent S(4)Er4 trigonal pyramids. In the fifth S site, S(5) is bonded in a rectangular see-saw-like geometry to one Er(1) and three equivalent Er(3) atoms. In the sixth S site, S(6) is bonded to one Er(2), two equivalent Er(3), and two equivalent Sm(1) atoms to form SSm2Er3 trigonal bipyramids that share corners with two equivalent S(2)Sm2Er3 square pyramids, corners with two equivalent S(3)Sm3Er2 trigonal bipyramids,  a cornercorner with one S(4)Er4 trigonal pyramid, corners with three equivalent S(1)SmEr3 trigonal pyramids,  an edgeedge with one S(2)Sm2Er3 square pyramid, edges with two equivalent S(6)Sm2Er3 trigonal bipyramids, edges with three equivalent S(3)Sm3Er2 trigonal bipyramids, and edges with two equivalent S(4)Er4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm(ErS2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.933
_cell_length_b   10.963
_cell_length_c   11.226
_cell_angle_alpha   108.880
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   457.984
_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
  Sm  Sm0  1  0.250  0.548  0.194  1.0
  Sm  Sm1  1  0.750  0.452  0.806  1.0
  Er  Er2  1  0.250  0.661  0.586  1.0
  Er  Er3  1  0.750  0.339  0.414  1.0
  Er  Er4  1  0.250  0.181  0.002  1.0
  Er  Er5  1  0.750  0.819  0.998  1.0
  Er  Er6  1  0.250  0.939  0.333  1.0
  Er  Er7  1  0.750  0.061  0.667  1.0
  S  S8  1  0.250  0.305  0.251  1.0
  S  S9  1  0.750  0.695  0.749  1.0
  S  S10  1  0.250  0.418  0.595  1.0
  S  S11  1  0.750  0.582  0.405  1.0
  S  S12  1  0.250  0.616  0.963  1.0
  S  S13  1  0.750  0.384  0.037  1.0
  S  S14  1  0.250  0.977  0.112  1.0
  S  S15  1  0.750  0.023  0.888  1.0
  S  S16  1  0.750  0.105  0.440  1.0
  S  S17  1  0.250  0.895  0.560  1.0
  S  S18  1  0.750  0.762  0.227  1.0
  S  S19  1  0.250  0.238  0.773  1.0
[/CIF]
.
The material structure described by Er3SmS6 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(5), two equivalent S(1), and three equivalent S(2) atoms to form ErS6 octahedra that share corners with three equivalent Er(3)S6 octahedra, corners with two equivalent Er(2)S7 pentagonal bipyramids, and edges with four equivalent Er(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. In the second Er site, Er(2) is bonded to one S(1), one S(6), two equivalent S(3), and three equivalent S(4) atoms to form distorted ErS7 pentagonal bipyramids that share  a cornercorner with one Er(3)S6 octahedra, corners with two equivalent Er(1)S6 octahedra, edges with two equivalent Er(3)S6 octahedra, and edges with four equivalent Er(2)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 38-51°. In the third Er site, Er(3) is bonded to one S(4), two equivalent S(6), and three equivalent S(5) atoms to form ErS6 octahedra that share corners with three equivalent Er(1)S6 octahedra,  a cornercorner with one Er(2)S7 pentagonal bipyramid, edges with four equivalent Er(3)S6 octahedra, and edges with two equivalent Er(2)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 56-61°. Sm(1) is bonded in a 8-coordinate geometry to one S(1), two equivalent S(2), two equivalent S(6), and three equivalent S(3) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded to one Er(2), two equivalent Er(1), and one Sm(1) atom to form distorted SSmEr3 trigonal pyramids that share corners with two equivalent S(2)Sm2Er3 square pyramids,  a cornercorner with one S(3)Sm3Er2 trigonal bipyramid, corners with three equivalent S(6)Sm2Er3 trigonal bipyramids, corners with two equivalent S(1)SmEr3 trigonal pyramids, corners with three equivalent S(4)Er4 trigonal pyramids, edges with three equivalent S(2)Sm2Er3 square pyramids, and edges with two equivalent S(3)Sm3Er2 trigonal bipyramids. In the second S site, S(2) is bonded to three equivalent Er(1) and two equivalent Sm(1) atoms to form SSm2Er3 square pyramids that share corners with two equivalent S(6)Sm2Er3 trigonal bipyramids, corners with four equivalent S(3)Sm3Er2 trigonal bipyramids, corners with two equivalent S(1)SmEr3 trigonal pyramids, edges with four equivalent S(2)Sm2Er3 square pyramids,  an edgeedge with one S(6)Sm2Er3 trigonal bipyramid,  an edgeedge with one S(3)Sm3Er2 trigonal bipyramid, and edges with three equivalent S(1)SmEr3 trigonal pyramids. In the third S site, S(3) is bonded to two equivalent Er(2) and three equivalent Sm(1) atoms to form distorted SSm3Er2 trigonal bipyramids that share corners with four equivalent S(2)Sm2Er3 square pyramids, corners with two equivalent S(6)Sm2Er3 trigonal bipyramids,  a cornercorner with one S(1)SmEr3 trigonal pyramid, corners with four equivalent S(4)Er4 trigonal pyramids,  an edgeedge with one S(2)Sm2Er3 square pyramid, edges with three equivalent S(6)Sm2Er3 trigonal bipyramids, edges with four equivalent S(3)Sm3Er2 trigonal bipyramids,  an edgeedge with one S(4)Er4 trigonal pyramid, and edges with two equivalent S(1)SmEr3 trigonal pyramids. In the fourth S site, S(4) is bonded to one Er(3) and three equivalent Er(2) atoms to form distorted SEr4 trigonal pyramids that share  a cornercorner with one S(6)Sm2Er3 trigonal bipyramid, corners with four equivalent S(3)Sm3Er2 trigonal bipyramids, corners with two equivalent S(4)Er4 trigonal pyramids, corners with three equivalent S(1)SmEr3 trigonal pyramids,  an edgeedge with one S(3)Sm3Er2 trigonal bipyramid, edges with two equivalent S(6)Sm2Er3 trigonal bipyramids, and edges with two equivalent S(4)Er4 trigonal pyramids. In the fifth S site, S(5) is bonded in a rectangular see-saw-like geometry to one Er(1) and three equivalent Er(3) atoms. In the sixth S site, S(6) is bonded to one Er(2), two equivalent Er(3), and two equivalent Sm(1) atoms to form SSm2Er3 trigonal bipyramids that share corners with two equivalent S(2)Sm2Er3 square pyramids, corners with two equivalent S(3)Sm3Er2 trigonal bipyramids,  a cornercorner with one S(4)Er4 trigonal pyramid, corners with three equivalent S(1)SmEr3 trigonal pyramids,  an edgeedge with one S(2)Sm2Er3 square pyramid, edges with two equivalent S(6)Sm2Er3 trigonal bipyramids, edges with three equivalent S(3)Sm3Er2 trigonal bipyramids, and edges with two equivalent S(4)Er4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm(ErS2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.933
_cell_length_b   10.963
_cell_length_c   11.226
_cell_angle_alpha   108.880
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   457.984
_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
  Sm  Sm0  1  0.250  0.548  0.194  1.0
  Sm  Sm1  1  0.750  0.452  0.806  1.0
  Er  Er2  1  0.250  0.661  0.586  1.0
  Er  Er3  1  0.750  0.339  0.414  1.0
  Er  Er4  1  0.250  0.181  0.002  1.0
  Er  Er5  1  0.750  0.819  0.998  1.0
  Er  Er6  1  0.250  0.939  0.333  1.0
  Er  Er7  1  0.750  0.061  0.667  1.0
  S  S8  1  0.250  0.305  0.251  1.0
  S  S9  1  0.750  0.695  0.749  1.0
  S  S10  1  0.250  0.418  0.595  1.0
  S  S11  1  0.750  0.582  0.405  1.0
  S  S12  1  0.250  0.616  0.963  1.0
  S  S13  1  0.750  0.384  0.037  1.0
  S  S14  1  0.250  0.977  0.112  1.0
  S  S15  1  0.750  0.023  0.888  1.0
  S  S16  1  0.750  0.105  0.440  1.0
  S  S17  1  0.250  0.895  0.560  1.0
  S  S18  1  0.750  0.762  0.227  1.0
  S  S19  1  0.250  0.238  0.773  1.0
[/CIF]
.