The crystal structure described by Sm2S3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(3), and four equivalent S(2) atoms. In the second Sm site, Sm(2) is bonded to one S(2), three equivalent S(1), and three equivalent S(3) atoms to form distorted edge-sharing SmS7 pentagonal bipyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Sm(1) and three equivalent Sm(2) atoms to form a mixture of distorted edge, corner, and face-sharing SSm5 trigonal bipyramids. In the second S site, S(2) is bonded to one Sm(2) and four equivalent Sm(1) atoms to form a mixture of distorted edge, corner, and face-sharing SSm5 square pyramids. In the third S site, S(3) is bonded to two equivalent Sm(1) and three equivalent Sm(2) atoms to form a mixture of distorted edge and corner-sharing SSm5 trigonal bipyramids. is represented by the CIF file [CIF]
data_Sm2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.988
_cell_length_b   7.435
_cell_length_c   15.474
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   458.842
_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  0.250  0.643  0.296  1.0
  Sm  Sm1  1  0.750  0.357  0.704  1.0
  Sm  Sm2  1  0.250  0.143  0.204  1.0
  Sm  Sm3  1  0.750  0.857  0.796  1.0
  Sm  Sm4  1  0.250  0.265  0.956  1.0
  Sm  Sm5  1  0.750  0.735  0.044  1.0
  Sm  Sm6  1  0.250  0.765  0.544  1.0
  Sm  Sm7  1  0.750  0.235  0.456  1.0
  S  S8  1  0.250  0.875  0.933  1.0
  S  S9  1  0.750  0.125  0.067  1.0
  S  S10  1  0.250  0.375  0.567  1.0
  S  S11  1  0.750  0.625  0.433  1.0
  S  S12  1  0.250  0.648  0.719  1.0
  S  S13  1  0.750  0.352  0.281  1.0
  S  S14  1  0.250  0.148  0.781  1.0
  S  S15  1  0.750  0.852  0.219  1.0
  S  S16  1  0.750  0.990  0.609  1.0
  S  S17  1  0.250  0.010  0.391  1.0
  S  S18  1  0.750  0.490  0.891  1.0
  S  S19  1  0.250  0.510  0.109  1.0
[/CIF]
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The crystal structure described by Sm2S3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(3), and four equivalent S(2) atoms. In the second Sm site, Sm(2) is bonded to one S(2), three equivalent S(1), and three equivalent S(3) atoms to form distorted edge-sharing SmS7 pentagonal bipyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Sm(1) and three equivalent Sm(2) atoms to form a mixture of distorted edge, corner, and face-sharing SSm5 trigonal bipyramids. In the second S site, S(2) is bonded to one Sm(2) and four equivalent Sm(1) atoms to form a mixture of distorted edge, corner, and face-sharing SSm5 square pyramids. In the third S site, S(3) is bonded to two equivalent Sm(1) and three equivalent Sm(2) atoms to form a mixture of distorted edge and corner-sharing SSm5 trigonal bipyramids. is represented by the CIF file [CIF]
data_Sm2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.988
_cell_length_b   7.435
_cell_length_c   15.474
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   458.842
_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  0.250  0.643  0.296  1.0
  Sm  Sm1  1  0.750  0.357  0.704  1.0
  Sm  Sm2  1  0.250  0.143  0.204  1.0
  Sm  Sm3  1  0.750  0.857  0.796  1.0
  Sm  Sm4  1  0.250  0.265  0.956  1.0
  Sm  Sm5  1  0.750  0.735  0.044  1.0
  Sm  Sm6  1  0.250  0.765  0.544  1.0
  Sm  Sm7  1  0.750  0.235  0.456  1.0
  S  S8  1  0.250  0.875  0.933  1.0
  S  S9  1  0.750  0.125  0.067  1.0
  S  S10  1  0.250  0.375  0.567  1.0
  S  S11  1  0.750  0.625  0.433  1.0
  S  S12  1  0.250  0.648  0.719  1.0
  S  S13  1  0.750  0.352  0.281  1.0
  S  S14  1  0.250  0.148  0.781  1.0
  S  S15  1  0.750  0.852  0.219  1.0
  S  S16  1  0.750  0.990  0.609  1.0
  S  S17  1  0.250  0.010  0.391  1.0
  S  S18  1  0.750  0.490  0.891  1.0
  S  S19  1  0.250  0.510  0.109  1.0
[/CIF]
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