The material structure described by Sm4(TmS2)11 crystallizes in the monoclinic C2/m space group. There are six inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to one S(5), one S(9), two equivalent S(2), and two equivalent S(3) atoms to form a mixture of edge and corner-sharing TmS6 octahedra. The corner-sharing octahedral tilt angles range from 48-59°. In the second Tm site, Tm(2) is bonded to one S(10), one S(3), two equivalent S(1), and two equivalent S(9) atoms to form a mixture of edge and corner-sharing TmS6 octahedra. The corner-sharing octahedral tilt angles range from 48-59°. In the third Tm site, Tm(3) is bonded to one S(7), two equivalent S(8), and three equivalent S(11) atoms to form TmS6 octahedra that share corners with three equivalent Tm(6)S6 octahedra,  a cornercorner with one Tm(4)S7 pentagonal bipyramid, edges with four equivalent Tm(3)S6 octahedra, and edges with two equivalent Tm(4)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 51-63°. In the fourth Tm site, Tm(4) is bonded to one S(6), one S(8), two equivalent S(4), and three equivalent S(7) atoms to form distorted TmS7 pentagonal bipyramids that share  a cornercorner with one Tm(3)S6 octahedra, corners with two equivalent Tm(6)S6 octahedra, edges with two equivalent Tm(3)S6 octahedra, and edges with four equivalent Tm(4)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 39-50°. In the fifth Tm site, Tm(5) is bonded to two equivalent S(3) and four equivalent S(5) atoms to form a mixture of edge and corner-sharing TmS6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the sixth Tm site, Tm(6) is bonded to one S(1), one S(11), two equivalent S(10), and two equivalent S(6) atoms to form TmS6 octahedra that share corners with three equivalent Tm(3)S6 octahedra, corners with two equivalent Tm(4)S7 pentagonal bipyramids, edges with two equivalent Tm(2)S6 octahedra, and edges with two equivalent Tm(6)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-63°. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to one S(4), one S(9), two equivalent S(10), two equivalent S(2), and two equivalent S(8) atoms. In the second Sm site, Sm(2) is bonded in a 8-coordinate geometry to one S(2), one S(6), two equivalent S(1), two equivalent S(4), and two equivalent S(5) atoms. There are eleven inequivalent S sites. In the first S site, S(1) is bonded to one Tm(6), two equivalent Tm(2), and two equivalent Sm(2) atoms to form SSm2Tm3 square pyramids that share corners with two equivalent S(5)Sm2Tm3 square pyramids, corners with two equivalent S(2)Sm3Tm2 trigonal bipyramids, corners with two equivalent S(4)Sm3Tm2 trigonal bipyramids,  an edgeedge with one S(5)Sm2Tm3 square pyramid, edges with two equivalent S(1)Sm2Tm3 square pyramids, edges with two equivalent S(10)Sm2Tm3 square pyramids,  an edgeedge with one S(4)Sm3Tm2 trigonal bipyramid, and edges with two equivalent S(6)SmTm3 trigonal pyramids. In the second S site, S(2) is bonded to two equivalent Tm(1), one Sm(2), and two equivalent Sm(1) atoms to form distorted SSm3Tm2 trigonal bipyramids that share corners with two equivalent S(1)Sm2Tm3 square pyramids, corners with two equivalent S(10)Sm2Tm3 square pyramids, corners with two equivalent S(8)Sm2Tm3 trigonal bipyramids,  a cornercorner with one S(6)SmTm3 trigonal pyramid,  an edgeedge with one S(10)Sm2Tm3 square pyramid, edges with two equivalent S(5)Sm2Tm3 square pyramids,  an edgeedge with one S(8)Sm2Tm3 trigonal bipyramid, edges with two equivalent S(2)Sm3Tm2 trigonal bipyramids, and edges with two equivalent S(4)Sm3Tm2 trigonal bipyramids. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Tm(2), one Tm(5), and two equivalent Tm(1) atoms. In the fourth S site, S(4) is bonded to two equivalent Tm(4), one Sm(1), and two equivalent Sm(2) atoms to form distorted SSm3Tm2 trigonal bipyramids that share corners with two equivalent S(1)Sm2Tm3 square pyramids, corners with two equivalent S(10)Sm2Tm3 square pyramids, corners with two equivalent S(5)Sm2Tm3 square pyramids, corners with four equivalent S(7)Tm4 trigonal pyramids,  an edgeedge with one S(1)Sm2Tm3 square pyramid,  an edgeedge with one S(5)Sm2Tm3 square pyramid, edges with two equivalent S(8)Sm2Tm3 trigonal bipyramids, edges with two equivalent S(2)Sm3Tm2 trigonal bipyramids, edges with two equivalent S(4)Sm3Tm2 trigonal bipyramids,  an edgeedge with one S(7)Tm4 trigonal pyramid, and edges with two equivalent S(6)SmTm3 trigonal pyramids. In the fifth S site, S(5) is bonded to one Tm(1), two equivalent Tm(5), and two equivalent Sm(2) atoms to form SSm2Tm3 square pyramids that share corners with two equivalent S(1)Sm2Tm3 square pyramids, corners with two equivalent S(5)Sm2Tm3 square pyramids, corners with two equivalent S(4)Sm3Tm2 trigonal bipyramids, corners with two equivalent S(6)SmTm3 trigonal pyramids,  an edgeedge with one S(1)Sm2Tm3 square pyramid, edges with three equivalent S(5)Sm2Tm3 square pyramids,  an edgeedge with one S(4)Sm3Tm2 trigonal bipyramid, and edges with two equivalent S(2)Sm3Tm2 trigonal bipyramids. In the sixth S site, S(6) is bonded to one Tm(4), two equivalent Tm(6), and one Sm(2) atom to form SSmTm3 trigonal pyramids that share corners with two equivalent S(10)Sm2Tm3 square pyramids, corners with two equivalent S(5)Sm2Tm3 square pyramids,  a cornercorner with one S(8)Sm2Tm3 trigonal bipyramid,  a cornercorner with one S(2)Sm3Tm2 trigonal bipyramid, corners with two equivalent S(6)SmTm3 trigonal pyramids, corners with three equivalent S(7)Tm4 trigonal pyramids,  an edgeedge with one S(10)Sm2Tm3 square pyramid, edges with two equivalent S(1)Sm2Tm3 square pyramids, and edges with two equivalent S(4)Sm3Tm2 trigonal bipyramids. In the seventh S site, S(7) is bonded to one Tm(3) and three equivalent Tm(4) atoms to form distorted STm4 trigonal pyramids that share  a cornercorner with one S(8)Sm2Tm3 trigonal bipyramid, corners with four equivalent S(4)Sm3Tm2 trigonal bipyramids, corners with two equivalent S(7)Tm4 trigonal pyramids, corners with three equivalent S(6)SmTm3 trigonal pyramids,  an edgeedge with one S(4)Sm3Tm2 trigonal bipyramid, edges with two equivalent S(8)Sm2Tm3 trigonal bipyramids, and edges with two equivalent S(7)Tm4 trigonal pyramids. In the eighth S site, S(8) is bonded to one Tm(4), two equivalent Tm(3), and two equivalent Sm(1) atoms to form SSm2Tm3 trigonal bipyramids that share corners with two equivalent S(10)Sm2Tm3 square pyramids, corners with two equivalent S(2)Sm3Tm2 trigonal bipyramids,  a cornercorner with one S(6)SmTm3 trigonal pyramid,  a cornercorner with one S(7)Tm4 trigonal pyramid,  an edgeedge with one S(10)Sm2Tm3 square pyramid,  an edgeedge with one S(2)Sm3Tm2 trigonal bipyramid, edges with two equivalent S(8)Sm2Tm3 trigonal bipyramids, edges with two equivalent S(4)Sm3Tm2 trigonal bipyramids, and edges with two equivalent S(7)Tm4 trigonal pyramids. In the ninth S site, S(9) is bonded in a 4-coordinate geometry to one Tm(1), two equivalent Tm(2), and one Sm(1) atom. In the tenth S site, S(10) is bonded to one Tm(2), two equivalent Tm(6), and two equivalent Sm(1) atoms to form SSm2Tm3 square pyramids that share corners with two equivalent S(8)Sm2Tm3 trigonal bipyramids, corners with two equivalent S(2)Sm3Tm2 trigonal bipyramids, corners with two equivalent S(4)Sm3Tm2 trigonal bipyramids, corners with two equivalent S(6)SmTm3 trigonal pyramids, edges with two equivalent S(1)Sm2Tm3 square pyramids, edges with two equivalent S(10)Sm2Tm3 square pyramids,  an edgeedge with one S(8)Sm2Tm3 trigonal bipyramid,  an edgeedge with one S(2)Sm3Tm2 trigonal bipyramid, and  an edgeedge with one S(6)SmTm3 trigonal pyramid. In the eleventh S site, S(11) is bonded in a rectangular see-saw-like geometry to one Tm(6) and three equivalent Tm(3) atoms. is represented by the CIF card [CIF]
data_Sm4(TmS2)11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.495
_cell_length_b   19.495
_cell_length_c   11.269
_cell_angle_alpha   88.603
_cell_angle_beta   88.603
_cell_angle_gamma   11.502
_symmetry_Int_Tables_number   1
_cell_volume   853.768
_cell_formula_units_Z   1
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  0.633  0.633  0.348  1.0
  Sm  Sm1  1  0.367  0.367  0.652  1.0
  Sm  Sm2  1  0.895  0.895  0.012  1.0
  Sm  Sm3  1  0.105  0.105  0.988  1.0
  Tm  Tm4  1  0.539  0.539  0.270  1.0
  Tm  Tm5  1  0.461  0.461  0.730  1.0
  Tm  Tm6  1  0.930  0.930  0.360  1.0
  Tm  Tm7  1  0.070  0.070  0.640  1.0
  Tm  Tm8  1  0.736  0.736  0.352  1.0
  Tm  Tm9  1  0.264  0.264  0.648  1.0
  Tm  Tm10  1  0.202  0.202  0.058  1.0
  Tm  Tm11  1  0.798  0.798  0.942  1.0
  Tm  Tm12  1  0.000  0.000  0.000  1.0
  Tm  Tm13  1  0.342  0.342  0.302  1.0
  Tm  Tm14  1  0.658  0.658  0.698  1.0
  S  S15  1  0.407  0.407  0.210  1.0
  S  S16  1  0.593  0.593  0.790  1.0
  S  S17  1  0.912  0.912  0.754  1.0
  S  S18  1  0.088  0.088  0.246  1.0
  S  S19  1  0.992  0.992  0.239  1.0
  S  S20  1  0.008  0.008  0.761  1.0
  S  S21  1  0.649  0.649  0.093  1.0
  S  S22  1  0.351  0.351  0.907  1.0
  S  S23  1  0.548  0.548  0.031  1.0
  S  S24  1  0.452  0.452  0.969  1.0
  S  S25  1  0.832  0.832  0.150  1.0
  S  S26  1  0.168  0.168  0.850  1.0
  S  S27  1  0.745  0.745  0.120  1.0
  S  S28  1  0.255  0.255  0.880  1.0
  S  S29  1  0.812  0.812  0.691  1.0
  S  S30  1  0.188  0.188  0.309  1.0
  S  S31  1  0.555  0.555  0.493  1.0
  S  S32  1  0.445  0.445  0.507  1.0
  S  S33  1  0.865  0.865  0.455  1.0
  S  S34  1  0.135  0.135  0.545  1.0
  S  S35  1  0.720  0.720  0.590  1.0
  S  S36  1  0.280  0.280  0.410  1.0
[/CIF]
.
The material structure described by Sm4(TmS2)11 crystallizes in the monoclinic C2/m space group. There are six inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to one S(5), one S(9), two equivalent S(2), and two equivalent S(3) atoms to form a mixture of edge and corner-sharing TmS6 octahedra. The corner-sharing octahedral tilt angles range from 48-59°. In the second Tm site, Tm(2) is bonded to one S(10), one S(3), two equivalent S(1), and two equivalent S(9) atoms to form a mixture of edge and corner-sharing TmS6 octahedra. The corner-sharing octahedral tilt angles range from 48-59°. In the third Tm site, Tm(3) is bonded to one S(7), two equivalent S(8), and three equivalent S(11) atoms to form TmS6 octahedra that share corners with three equivalent Tm(6)S6 octahedra,  a cornercorner with one Tm(4)S7 pentagonal bipyramid, edges with four equivalent Tm(3)S6 octahedra, and edges with two equivalent Tm(4)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 51-63°. In the fourth Tm site, Tm(4) is bonded to one S(6), one S(8), two equivalent S(4), and three equivalent S(7) atoms to form distorted TmS7 pentagonal bipyramids that share  a cornercorner with one Tm(3)S6 octahedra, corners with two equivalent Tm(6)S6 octahedra, edges with two equivalent Tm(3)S6 octahedra, and edges with four equivalent Tm(4)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 39-50°. In the fifth Tm site, Tm(5) is bonded to two equivalent S(3) and four equivalent S(5) atoms to form a mixture of edge and corner-sharing TmS6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the sixth Tm site, Tm(6) is bonded to one S(1), one S(11), two equivalent S(10), and two equivalent S(6) atoms to form TmS6 octahedra that share corners with three equivalent Tm(3)S6 octahedra, corners with two equivalent Tm(4)S7 pentagonal bipyramids, edges with two equivalent Tm(2)S6 octahedra, and edges with two equivalent Tm(6)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-63°. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to one S(4), one S(9), two equivalent S(10), two equivalent S(2), and two equivalent S(8) atoms. In the second Sm site, Sm(2) is bonded in a 8-coordinate geometry to one S(2), one S(6), two equivalent S(1), two equivalent S(4), and two equivalent S(5) atoms. There are eleven inequivalent S sites. In the first S site, S(1) is bonded to one Tm(6), two equivalent Tm(2), and two equivalent Sm(2) atoms to form SSm2Tm3 square pyramids that share corners with two equivalent S(5)Sm2Tm3 square pyramids, corners with two equivalent S(2)Sm3Tm2 trigonal bipyramids, corners with two equivalent S(4)Sm3Tm2 trigonal bipyramids,  an edgeedge with one S(5)Sm2Tm3 square pyramid, edges with two equivalent S(1)Sm2Tm3 square pyramids, edges with two equivalent S(10)Sm2Tm3 square pyramids,  an edgeedge with one S(4)Sm3Tm2 trigonal bipyramid, and edges with two equivalent S(6)SmTm3 trigonal pyramids. In the second S site, S(2) is bonded to two equivalent Tm(1), one Sm(2), and two equivalent Sm(1) atoms to form distorted SSm3Tm2 trigonal bipyramids that share corners with two equivalent S(1)Sm2Tm3 square pyramids, corners with two equivalent S(10)Sm2Tm3 square pyramids, corners with two equivalent S(8)Sm2Tm3 trigonal bipyramids,  a cornercorner with one S(6)SmTm3 trigonal pyramid,  an edgeedge with one S(10)Sm2Tm3 square pyramid, edges with two equivalent S(5)Sm2Tm3 square pyramids,  an edgeedge with one S(8)Sm2Tm3 trigonal bipyramid, edges with two equivalent S(2)Sm3Tm2 trigonal bipyramids, and edges with two equivalent S(4)Sm3Tm2 trigonal bipyramids. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Tm(2), one Tm(5), and two equivalent Tm(1) atoms. In the fourth S site, S(4) is bonded to two equivalent Tm(4), one Sm(1), and two equivalent Sm(2) atoms to form distorted SSm3Tm2 trigonal bipyramids that share corners with two equivalent S(1)Sm2Tm3 square pyramids, corners with two equivalent S(10)Sm2Tm3 square pyramids, corners with two equivalent S(5)Sm2Tm3 square pyramids, corners with four equivalent S(7)Tm4 trigonal pyramids,  an edgeedge with one S(1)Sm2Tm3 square pyramid,  an edgeedge with one S(5)Sm2Tm3 square pyramid, edges with two equivalent S(8)Sm2Tm3 trigonal bipyramids, edges with two equivalent S(2)Sm3Tm2 trigonal bipyramids, edges with two equivalent S(4)Sm3Tm2 trigonal bipyramids,  an edgeedge with one S(7)Tm4 trigonal pyramid, and edges with two equivalent S(6)SmTm3 trigonal pyramids. In the fifth S site, S(5) is bonded to one Tm(1), two equivalent Tm(5), and two equivalent Sm(2) atoms to form SSm2Tm3 square pyramids that share corners with two equivalent S(1)Sm2Tm3 square pyramids, corners with two equivalent S(5)Sm2Tm3 square pyramids, corners with two equivalent S(4)Sm3Tm2 trigonal bipyramids, corners with two equivalent S(6)SmTm3 trigonal pyramids,  an edgeedge with one S(1)Sm2Tm3 square pyramid, edges with three equivalent S(5)Sm2Tm3 square pyramids,  an edgeedge with one S(4)Sm3Tm2 trigonal bipyramid, and edges with two equivalent S(2)Sm3Tm2 trigonal bipyramids. In the sixth S site, S(6) is bonded to one Tm(4), two equivalent Tm(6), and one Sm(2) atom to form SSmTm3 trigonal pyramids that share corners with two equivalent S(10)Sm2Tm3 square pyramids, corners with two equivalent S(5)Sm2Tm3 square pyramids,  a cornercorner with one S(8)Sm2Tm3 trigonal bipyramid,  a cornercorner with one S(2)Sm3Tm2 trigonal bipyramid, corners with two equivalent S(6)SmTm3 trigonal pyramids, corners with three equivalent S(7)Tm4 trigonal pyramids,  an edgeedge with one S(10)Sm2Tm3 square pyramid, edges with two equivalent S(1)Sm2Tm3 square pyramids, and edges with two equivalent S(4)Sm3Tm2 trigonal bipyramids. In the seventh S site, S(7) is bonded to one Tm(3) and three equivalent Tm(4) atoms to form distorted STm4 trigonal pyramids that share  a cornercorner with one S(8)Sm2Tm3 trigonal bipyramid, corners with four equivalent S(4)Sm3Tm2 trigonal bipyramids, corners with two equivalent S(7)Tm4 trigonal pyramids, corners with three equivalent S(6)SmTm3 trigonal pyramids,  an edgeedge with one S(4)Sm3Tm2 trigonal bipyramid, edges with two equivalent S(8)Sm2Tm3 trigonal bipyramids, and edges with two equivalent S(7)Tm4 trigonal pyramids. In the eighth S site, S(8) is bonded to one Tm(4), two equivalent Tm(3), and two equivalent Sm(1) atoms to form SSm2Tm3 trigonal bipyramids that share corners with two equivalent S(10)Sm2Tm3 square pyramids, corners with two equivalent S(2)Sm3Tm2 trigonal bipyramids,  a cornercorner with one S(6)SmTm3 trigonal pyramid,  a cornercorner with one S(7)Tm4 trigonal pyramid,  an edgeedge with one S(10)Sm2Tm3 square pyramid,  an edgeedge with one S(2)Sm3Tm2 trigonal bipyramid, edges with two equivalent S(8)Sm2Tm3 trigonal bipyramids, edges with two equivalent S(4)Sm3Tm2 trigonal bipyramids, and edges with two equivalent S(7)Tm4 trigonal pyramids. In the ninth S site, S(9) is bonded in a 4-coordinate geometry to one Tm(1), two equivalent Tm(2), and one Sm(1) atom. In the tenth S site, S(10) is bonded to one Tm(2), two equivalent Tm(6), and two equivalent Sm(1) atoms to form SSm2Tm3 square pyramids that share corners with two equivalent S(8)Sm2Tm3 trigonal bipyramids, corners with two equivalent S(2)Sm3Tm2 trigonal bipyramids, corners with two equivalent S(4)Sm3Tm2 trigonal bipyramids, corners with two equivalent S(6)SmTm3 trigonal pyramids, edges with two equivalent S(1)Sm2Tm3 square pyramids, edges with two equivalent S(10)Sm2Tm3 square pyramids,  an edgeedge with one S(8)Sm2Tm3 trigonal bipyramid,  an edgeedge with one S(2)Sm3Tm2 trigonal bipyramid, and  an edgeedge with one S(6)SmTm3 trigonal pyramid. In the eleventh S site, S(11) is bonded in a rectangular see-saw-like geometry to one Tm(6) and three equivalent Tm(3) atoms. is represented by the CIF card [CIF]
data_Sm4(TmS2)11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.495
_cell_length_b   19.495
_cell_length_c   11.269
_cell_angle_alpha   88.603
_cell_angle_beta   88.603
_cell_angle_gamma   11.502
_symmetry_Int_Tables_number   1
_cell_volume   853.768
_cell_formula_units_Z   1
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  0.633  0.633  0.348  1.0
  Sm  Sm1  1  0.367  0.367  0.652  1.0
  Sm  Sm2  1  0.895  0.895  0.012  1.0
  Sm  Sm3  1  0.105  0.105  0.988  1.0
  Tm  Tm4  1  0.539  0.539  0.270  1.0
  Tm  Tm5  1  0.461  0.461  0.730  1.0
  Tm  Tm6  1  0.930  0.930  0.360  1.0
  Tm  Tm7  1  0.070  0.070  0.640  1.0
  Tm  Tm8  1  0.736  0.736  0.352  1.0
  Tm  Tm9  1  0.264  0.264  0.648  1.0
  Tm  Tm10  1  0.202  0.202  0.058  1.0
  Tm  Tm11  1  0.798  0.798  0.942  1.0
  Tm  Tm12  1  0.000  0.000  0.000  1.0
  Tm  Tm13  1  0.342  0.342  0.302  1.0
  Tm  Tm14  1  0.658  0.658  0.698  1.0
  S  S15  1  0.407  0.407  0.210  1.0
  S  S16  1  0.593  0.593  0.790  1.0
  S  S17  1  0.912  0.912  0.754  1.0
  S  S18  1  0.088  0.088  0.246  1.0
  S  S19  1  0.992  0.992  0.239  1.0
  S  S20  1  0.008  0.008  0.761  1.0
  S  S21  1  0.649  0.649  0.093  1.0
  S  S22  1  0.351  0.351  0.907  1.0
  S  S23  1  0.548  0.548  0.031  1.0
  S  S24  1  0.452  0.452  0.969  1.0
  S  S25  1  0.832  0.832  0.150  1.0
  S  S26  1  0.168  0.168  0.850  1.0
  S  S27  1  0.745  0.745  0.120  1.0
  S  S28  1  0.255  0.255  0.880  1.0
  S  S29  1  0.812  0.812  0.691  1.0
  S  S30  1  0.188  0.188  0.309  1.0
  S  S31  1  0.555  0.555  0.493  1.0
  S  S32  1  0.445  0.445  0.507  1.0
  S  S33  1  0.865  0.865  0.455  1.0
  S  S34  1  0.135  0.135  0.545  1.0
  S  S35  1  0.720  0.720  0.590  1.0
  S  S36  1  0.280  0.280  0.410  1.0
[/CIF]
.