The compound described by Sm3InS6 crystallizes in the orthorhombic P2_12_12 space group. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to one S(1), one S(6), two equivalent S(3), two equivalent S(4), and two equivalent S(5) atoms. In the second Sm site, Sm(2) is bonded in a 8-coordinate geometry to one S(5), one S(6), two equivalent S(1), two equivalent S(2), and two equivalent S(4) atoms. In the third Sm site, Sm(3) is bonded to one S(3), one S(4), one S(6), two equivalent S(2), and two equivalent S(5) atoms to form distorted SmS7 pentagonal bipyramids that share  a cornercorner with one In(2)S4 tetrahedra, edges with two equivalent In(1)S6 octahedra, and edges with two equivalent Sm(3)S7 pentagonal bipyramids. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent S(2) and four equivalent S(6) atoms to form InS6 octahedra that share edges with two equivalent In(1)S6 octahedra and edges with four equivalent Sm(3)S7 pentagonal bipyramids. In the second In site, In(2) is bonded to two equivalent S(1) and two equivalent S(3) atoms to form distorted InS4 tetrahedra that share corners with two equivalent Sm(3)S7 pentagonal bipyramids. There are six inequivalent S sites. In the first S site, S(5) is bonded to one Sm(2), two equivalent Sm(1), and two equivalent Sm(3) atoms to form distorted SSm5 trigonal bipyramids that share corners with four equivalent S(2)Sm4In square pyramids,  a cornercorner with one S(6)Sm3In2 trigonal bipyramid, corners with two equivalent S(4)Sm5 trigonal bipyramids, corners with four equivalent S(3)Sm3In trigonal pyramids,  an edgeedge with one S(2)Sm4In square pyramid, edges with two equivalent S(6)Sm3In2 trigonal bipyramids, edges with two equivalent S(5)Sm5 trigonal bipyramids, edges with three equivalent S(4)Sm5 trigonal bipyramids, and  an edgeedge with one S(3)Sm3In trigonal pyramid. In the second S site, S(6) is bonded to one Sm(1), one Sm(2), one Sm(3), and two equivalent In(1) atoms to form SSm3In2 trigonal bipyramids that share  a cornercorner with one S(4)Sm5 trigonal bipyramid,  a cornercorner with one S(5)Sm5 trigonal bipyramid, corners with four equivalent S(6)Sm3In2 trigonal bipyramids, corners with three equivalent S(3)Sm3In trigonal pyramids, edges with four equivalent S(2)Sm4In square pyramids,  an edgeedge with one S(6)Sm3In2 trigonal bipyramid, edges with two equivalent S(4)Sm5 trigonal bipyramids, and edges with two equivalent S(5)Sm5 trigonal bipyramids. In the third S site, S(1) is bonded in a distorted see-saw-like geometry to one Sm(1), two equivalent Sm(2), and one In(2) atom. In the fourth S site, S(2) is bonded to two equivalent Sm(2), two equivalent Sm(3), and one In(1) atom to form SSm4In square pyramids that share  a cornercorner with one S(2)Sm4In square pyramid, corners with four equivalent S(4)Sm5 trigonal bipyramids, corners with four equivalent S(5)Sm5 trigonal bipyramids, corners with two equivalent S(3)Sm3In trigonal pyramids, edges with two equivalent S(2)Sm4In square pyramids,  an edgeedge with one S(4)Sm5 trigonal bipyramid,  an edgeedge with one S(5)Sm5 trigonal bipyramid, and edges with four equivalent S(6)Sm3In2 trigonal bipyramids. In the fifth S site, S(3) is bonded to one Sm(3), two equivalent Sm(1), and one In(2) atom to form SSm3In trigonal pyramids that share corners with two equivalent S(2)Sm4In square pyramids, corners with two equivalent S(4)Sm5 trigonal bipyramids, corners with three equivalent S(6)Sm3In2 trigonal bipyramids, corners with four equivalent S(5)Sm5 trigonal bipyramids, corners with three equivalent S(3)Sm3In trigonal pyramids,  an edgeedge with one S(5)Sm5 trigonal bipyramid, and  a faceface with one S(4)Sm5 trigonal bipyramid. In the sixth S site, S(4) is bonded to one Sm(3), two equivalent Sm(1), and two equivalent Sm(2) atoms to form distorted SSm5 trigonal bipyramids that share corners with four equivalent S(2)Sm4In square pyramids,  a cornercorner with one S(6)Sm3In2 trigonal bipyramid, corners with two equivalent S(5)Sm5 trigonal bipyramids, corners with two equivalent S(3)Sm3In trigonal pyramids,  an edgeedge with one S(2)Sm4In square pyramid, edges with two equivalent S(6)Sm3In2 trigonal bipyramids, edges with two equivalent S(4)Sm5 trigonal bipyramids, edges with three equivalent S(5)Sm5 trigonal bipyramids, and  a faceface with one S(3)Sm3In trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm3InS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.955
_cell_length_b   13.725
_cell_length_c   16.760
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   909.840
_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
  Sm  Sm0  1  0.255  0.037  0.778  1.0
  Sm  Sm1  1  0.255  0.963  0.222  1.0
  Sm  Sm2  1  0.745  0.463  0.278  1.0
  Sm  Sm3  1  0.745  0.537  0.722  1.0
  Sm  Sm4  1  0.261  0.247  0.610  1.0
  Sm  Sm5  1  0.261  0.753  0.390  1.0
  Sm  Sm6  1  0.739  0.253  0.110  1.0
  Sm  Sm7  1  0.739  0.747  0.890  1.0
  Sm  Sm8  1  0.747  0.310  0.856  1.0
  Sm  Sm9  1  0.747  0.690  0.144  1.0
  Sm  Sm10  1  0.253  0.190  0.356  1.0
  Sm  Sm11  1  0.253  0.810  0.644  1.0
  In  In12  1  0.754  0.000  0.500  1.0
  In  In13  1  0.246  0.500  0.000  1.0
  In  In14  1  0.404  0.500  0.500  1.0
  In  In15  1  0.596  0.000  0.000  1.0
  S  S16  1  0.769  0.397  0.591  1.0
  S  S17  1  0.769  0.603  0.409  1.0
  S  S18  1  0.231  0.103  0.091  1.0
  S  S19  1  0.231  0.897  0.909  1.0
  S  S20  1  0.246  0.310  0.982  1.0
  S  S21  1  0.246  0.690  0.018  1.0
  S  S22  1  0.754  0.190  0.482  1.0
  S  S23  1  0.754  0.810  0.518  1.0
  S  S24  1  0.755  0.108  0.889  1.0
  S  S25  1  0.755  0.892  0.111  1.0
  S  S26  1  0.245  0.392  0.389  1.0
  S  S27  1  0.245  0.608  0.611  1.0
  S  S28  1  0.758  0.178  0.718  1.0
  S  S29  1  0.758  0.822  0.282  1.0
  S  S30  1  0.242  0.322  0.218  1.0
  S  S31  1  0.242  0.678  0.782  1.0
  S  S32  1  0.248  0.386  0.755  1.0
  S  S33  1  0.248  0.614  0.245  1.0
  S  S34  1  0.752  0.114  0.255  1.0
  S  S35  1  0.752  0.886  0.745  1.0
  S  S36  1  0.254  0.020  0.605  1.0
  S  S37  1  0.254  0.980  0.395  1.0
  S  S38  1  0.746  0.480  0.105  1.0
  S  S39  1  0.746  0.520  0.895  1.0
[/CIF]
.
The compound described by Sm3InS6 crystallizes in the orthorhombic P2_12_12 space group. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to one S(1), one S(6), two equivalent S(3), two equivalent S(4), and two equivalent S(5) atoms. In the second Sm site, Sm(2) is bonded in a 8-coordinate geometry to one S(5), one S(6), two equivalent S(1), two equivalent S(2), and two equivalent S(4) atoms. In the third Sm site, Sm(3) is bonded to one S(3), one S(4), one S(6), two equivalent S(2), and two equivalent S(5) atoms to form distorted SmS7 pentagonal bipyramids that share  a cornercorner with one In(2)S4 tetrahedra, edges with two equivalent In(1)S6 octahedra, and edges with two equivalent Sm(3)S7 pentagonal bipyramids. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent S(2) and four equivalent S(6) atoms to form InS6 octahedra that share edges with two equivalent In(1)S6 octahedra and edges with four equivalent Sm(3)S7 pentagonal bipyramids. In the second In site, In(2) is bonded to two equivalent S(1) and two equivalent S(3) atoms to form distorted InS4 tetrahedra that share corners with two equivalent Sm(3)S7 pentagonal bipyramids. There are six inequivalent S sites. In the first S site, S(5) is bonded to one Sm(2), two equivalent Sm(1), and two equivalent Sm(3) atoms to form distorted SSm5 trigonal bipyramids that share corners with four equivalent S(2)Sm4In square pyramids,  a cornercorner with one S(6)Sm3In2 trigonal bipyramid, corners with two equivalent S(4)Sm5 trigonal bipyramids, corners with four equivalent S(3)Sm3In trigonal pyramids,  an edgeedge with one S(2)Sm4In square pyramid, edges with two equivalent S(6)Sm3In2 trigonal bipyramids, edges with two equivalent S(5)Sm5 trigonal bipyramids, edges with three equivalent S(4)Sm5 trigonal bipyramids, and  an edgeedge with one S(3)Sm3In trigonal pyramid. In the second S site, S(6) is bonded to one Sm(1), one Sm(2), one Sm(3), and two equivalent In(1) atoms to form SSm3In2 trigonal bipyramids that share  a cornercorner with one S(4)Sm5 trigonal bipyramid,  a cornercorner with one S(5)Sm5 trigonal bipyramid, corners with four equivalent S(6)Sm3In2 trigonal bipyramids, corners with three equivalent S(3)Sm3In trigonal pyramids, edges with four equivalent S(2)Sm4In square pyramids,  an edgeedge with one S(6)Sm3In2 trigonal bipyramid, edges with two equivalent S(4)Sm5 trigonal bipyramids, and edges with two equivalent S(5)Sm5 trigonal bipyramids. In the third S site, S(1) is bonded in a distorted see-saw-like geometry to one Sm(1), two equivalent Sm(2), and one In(2) atom. In the fourth S site, S(2) is bonded to two equivalent Sm(2), two equivalent Sm(3), and one In(1) atom to form SSm4In square pyramids that share  a cornercorner with one S(2)Sm4In square pyramid, corners with four equivalent S(4)Sm5 trigonal bipyramids, corners with four equivalent S(5)Sm5 trigonal bipyramids, corners with two equivalent S(3)Sm3In trigonal pyramids, edges with two equivalent S(2)Sm4In square pyramids,  an edgeedge with one S(4)Sm5 trigonal bipyramid,  an edgeedge with one S(5)Sm5 trigonal bipyramid, and edges with four equivalent S(6)Sm3In2 trigonal bipyramids. In the fifth S site, S(3) is bonded to one Sm(3), two equivalent Sm(1), and one In(2) atom to form SSm3In trigonal pyramids that share corners with two equivalent S(2)Sm4In square pyramids, corners with two equivalent S(4)Sm5 trigonal bipyramids, corners with three equivalent S(6)Sm3In2 trigonal bipyramids, corners with four equivalent S(5)Sm5 trigonal bipyramids, corners with three equivalent S(3)Sm3In trigonal pyramids,  an edgeedge with one S(5)Sm5 trigonal bipyramid, and  a faceface with one S(4)Sm5 trigonal bipyramid. In the sixth S site, S(4) is bonded to one Sm(3), two equivalent Sm(1), and two equivalent Sm(2) atoms to form distorted SSm5 trigonal bipyramids that share corners with four equivalent S(2)Sm4In square pyramids,  a cornercorner with one S(6)Sm3In2 trigonal bipyramid, corners with two equivalent S(5)Sm5 trigonal bipyramids, corners with two equivalent S(3)Sm3In trigonal pyramids,  an edgeedge with one S(2)Sm4In square pyramid, edges with two equivalent S(6)Sm3In2 trigonal bipyramids, edges with two equivalent S(4)Sm5 trigonal bipyramids, edges with three equivalent S(5)Sm5 trigonal bipyramids, and  a faceface with one S(3)Sm3In trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm3InS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.955
_cell_length_b   13.725
_cell_length_c   16.760
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   909.840
_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
  Sm  Sm0  1  0.255  0.037  0.778  1.0
  Sm  Sm1  1  0.255  0.963  0.222  1.0
  Sm  Sm2  1  0.745  0.463  0.278  1.0
  Sm  Sm3  1  0.745  0.537  0.722  1.0
  Sm  Sm4  1  0.261  0.247  0.610  1.0
  Sm  Sm5  1  0.261  0.753  0.390  1.0
  Sm  Sm6  1  0.739  0.253  0.110  1.0
  Sm  Sm7  1  0.739  0.747  0.890  1.0
  Sm  Sm8  1  0.747  0.310  0.856  1.0
  Sm  Sm9  1  0.747  0.690  0.144  1.0
  Sm  Sm10  1  0.253  0.190  0.356  1.0
  Sm  Sm11  1  0.253  0.810  0.644  1.0
  In  In12  1  0.754  0.000  0.500  1.0
  In  In13  1  0.246  0.500  0.000  1.0
  In  In14  1  0.404  0.500  0.500  1.0
  In  In15  1  0.596  0.000  0.000  1.0
  S  S16  1  0.769  0.397  0.591  1.0
  S  S17  1  0.769  0.603  0.409  1.0
  S  S18  1  0.231  0.103  0.091  1.0
  S  S19  1  0.231  0.897  0.909  1.0
  S  S20  1  0.246  0.310  0.982  1.0
  S  S21  1  0.246  0.690  0.018  1.0
  S  S22  1  0.754  0.190  0.482  1.0
  S  S23  1  0.754  0.810  0.518  1.0
  S  S24  1  0.755  0.108  0.889  1.0
  S  S25  1  0.755  0.892  0.111  1.0
  S  S26  1  0.245  0.392  0.389  1.0
  S  S27  1  0.245  0.608  0.611  1.0
  S  S28  1  0.758  0.178  0.718  1.0
  S  S29  1  0.758  0.822  0.282  1.0
  S  S30  1  0.242  0.322  0.218  1.0
  S  S31  1  0.242  0.678  0.782  1.0
  S  S32  1  0.248  0.386  0.755  1.0
  S  S33  1  0.248  0.614  0.245  1.0
  S  S34  1  0.752  0.114  0.255  1.0
  S  S35  1  0.752  0.886  0.745  1.0
  S  S36  1  0.254  0.020  0.605  1.0
  S  S37  1  0.254  0.980  0.395  1.0
  S  S38  1  0.746  0.480  0.105  1.0
  S  S39  1  0.746  0.520  0.895  1.0
[/CIF]
.