The material described by Sm2SnS5 crystallizes in the orthorhombic Pbam space group. Sm(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(3), and four equivalent S(2) atoms. Sn(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form edge-sharing SnS6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Sm(1) and two equivalent Sn(1) atoms to form distorted SSm2Sn2 trigonal pyramids that share corners with four equivalent S(2)Sm4Sn trigonal bipyramids, corners with six equivalent S(1)Sm2Sn2 trigonal pyramids, edges with four equivalent S(2)Sm4Sn trigonal bipyramids, and  an edgeedge with one S(1)Sm2Sn2 trigonal pyramid. In the second S site, S(2) is bonded to four equivalent Sm(1) and one Sn(1) atom to form distorted SSm4Sn trigonal bipyramids that share corners with five equivalent S(2)Sm4Sn trigonal bipyramids, corners with four equivalent S(1)Sm2Sn2 trigonal pyramids, edges with four equivalent S(2)Sm4Sn trigonal bipyramids, and edges with four equivalent S(1)Sm2Sn2 trigonal pyramids. In the third S site, S(3) is bonded in a square co-planar geometry to four equivalent Sm(1) atoms. is represented by the CIF file [CIF]
data_Sm2SnS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.867
_cell_length_b   7.838
_cell_length_c   11.421
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   346.145
_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  0.500  0.535  0.173  1.0
  Sm  Sm1  1  0.500  0.465  0.827  1.0
  Sm  Sm2  1  0.500  0.035  0.327  1.0
  Sm  Sm3  1  0.500  0.965  0.673  1.0
  Sn  Sn4  1  0.000  0.500  0.500  1.0
  Sn  Sn5  1  0.000  0.000  0.000  1.0
  S  S6  1  0.500  0.671  0.409  1.0
  S  S7  1  0.500  0.329  0.591  1.0
  S  S8  1  0.500  0.171  0.091  1.0
  S  S9  1  0.500  0.829  0.909  1.0
  S  S10  1  0.000  0.829  0.194  1.0
  S  S11  1  0.000  0.171  0.806  1.0
  S  S12  1  0.000  0.500  0.000  1.0
  S  S13  1  0.000  0.000  0.500  1.0
  S  S14  1  0.000  0.671  0.694  1.0
  S  S15  1  0.000  0.329  0.306  1.0
[/CIF]
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The material described by Sm2SnS5 crystallizes in the orthorhombic Pbam space group. Sm(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(3), and four equivalent S(2) atoms. Sn(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form edge-sharing SnS6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Sm(1) and two equivalent Sn(1) atoms to form distorted SSm2Sn2 trigonal pyramids that share corners with four equivalent S(2)Sm4Sn trigonal bipyramids, corners with six equivalent S(1)Sm2Sn2 trigonal pyramids, edges with four equivalent S(2)Sm4Sn trigonal bipyramids, and  an edgeedge with one S(1)Sm2Sn2 trigonal pyramid. In the second S site, S(2) is bonded to four equivalent Sm(1) and one Sn(1) atom to form distorted SSm4Sn trigonal bipyramids that share corners with five equivalent S(2)Sm4Sn trigonal bipyramids, corners with four equivalent S(1)Sm2Sn2 trigonal pyramids, edges with four equivalent S(2)Sm4Sn trigonal bipyramids, and edges with four equivalent S(1)Sm2Sn2 trigonal pyramids. In the third S site, S(3) is bonded in a square co-planar geometry to four equivalent Sm(1) atoms. is represented by the CIF file [CIF]
data_Sm2SnS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.867
_cell_length_b   7.838
_cell_length_c   11.421
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   346.145
_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  0.500  0.535  0.173  1.0
  Sm  Sm1  1  0.500  0.465  0.827  1.0
  Sm  Sm2  1  0.500  0.035  0.327  1.0
  Sm  Sm3  1  0.500  0.965  0.673  1.0
  Sn  Sn4  1  0.000  0.500  0.500  1.0
  Sn  Sn5  1  0.000  0.000  0.000  1.0
  S  S6  1  0.500  0.671  0.409  1.0
  S  S7  1  0.500  0.329  0.591  1.0
  S  S8  1  0.500  0.171  0.091  1.0
  S  S9  1  0.500  0.829  0.909  1.0
  S  S10  1  0.000  0.829  0.194  1.0
  S  S11  1  0.000  0.171  0.806  1.0
  S  S12  1  0.000  0.500  0.000  1.0
  S  S13  1  0.000  0.000  0.500  1.0
  S  S14  1  0.000  0.671  0.694  1.0
  S  S15  1  0.000  0.329  0.306  1.0
[/CIF]
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