The crystal structure described by Sm3YS4 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form SmS6 octahedra that share corners with three equivalent Sm(2)S6 octahedra, corners with three equivalent Y(1)S6 octahedra, edges with three equivalent Sm(2)S6 octahedra, edges with three equivalent Y(1)S6 octahedra, and edges with six equivalent Sm(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the second Sm site, Sm(2) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form SmS6 octahedra that share corners with six equivalent Sm(1)S6 octahedra, edges with two equivalent Sm(2)S6 octahedra, edges with four equivalent Y(1)S6 octahedra, and edges with six equivalent Sm(1)S6 octahedra. The corner-sharing octahedral tilt angles are 3°. Y(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form YS6 octahedra that share corners with six equivalent Sm(1)S6 octahedra, edges with two equivalent Y(1)S6 octahedra, edges with four equivalent Sm(2)S6 octahedra, and edges with six equivalent Sm(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Sm(2), three equivalent Sm(1), and two equivalent Y(1) atoms to form SSm4Y2 octahedra that share corners with three equivalent S(1)Sm4Y2 octahedra, corners with three equivalent S(2)Sm5Y octahedra, edges with five equivalent S(1)Sm4Y2 octahedra, and edges with seven equivalent S(2)Sm5Y octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second S site, S(2) is bonded to two equivalent Sm(2), three equivalent Sm(1), and one Y(1) atom to form SSm5Y octahedra that share corners with three equivalent S(1)Sm4Y2 octahedra, corners with three equivalent S(2)Sm5Y octahedra, edges with five equivalent S(2)Sm5Y octahedra, and edges with seven equivalent S(1)Sm4Y2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm3YS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.879
_cell_length_b   6.879
_cell_length_c   6.905
_cell_angle_alpha   80.315
_cell_angle_beta   80.315
_cell_angle_gamma   33.651
_symmetry_Int_Tables_number   1
_cell_volume   178.259
_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  0.248  0.248  0.253  1.0
  Sm  Sm1  1  0.500  0.500  0.500  1.0
  Sm  Sm2  1  0.752  0.752  0.747  1.0
  Y  Y3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.622  0.622  0.120  1.0
  S  S5  1  0.877  0.877  0.368  1.0
  S  S6  1  0.123  0.123  0.632  1.0
  S  S7  1  0.378  0.378  0.880  1.0
[/CIF]
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The crystal structure described by Sm3YS4 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form SmS6 octahedra that share corners with three equivalent Sm(2)S6 octahedra, corners with three equivalent Y(1)S6 octahedra, edges with three equivalent Sm(2)S6 octahedra, edges with three equivalent Y(1)S6 octahedra, and edges with six equivalent Sm(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the second Sm site, Sm(2) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form SmS6 octahedra that share corners with six equivalent Sm(1)S6 octahedra, edges with two equivalent Sm(2)S6 octahedra, edges with four equivalent Y(1)S6 octahedra, and edges with six equivalent Sm(1)S6 octahedra. The corner-sharing octahedral tilt angles are 3°. Y(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form YS6 octahedra that share corners with six equivalent Sm(1)S6 octahedra, edges with two equivalent Y(1)S6 octahedra, edges with four equivalent Sm(2)S6 octahedra, and edges with six equivalent Sm(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Sm(2), three equivalent Sm(1), and two equivalent Y(1) atoms to form SSm4Y2 octahedra that share corners with three equivalent S(1)Sm4Y2 octahedra, corners with three equivalent S(2)Sm5Y octahedra, edges with five equivalent S(1)Sm4Y2 octahedra, and edges with seven equivalent S(2)Sm5Y octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second S site, S(2) is bonded to two equivalent Sm(2), three equivalent Sm(1), and one Y(1) atom to form SSm5Y octahedra that share corners with three equivalent S(1)Sm4Y2 octahedra, corners with three equivalent S(2)Sm5Y octahedra, edges with five equivalent S(2)Sm5Y octahedra, and edges with seven equivalent S(1)Sm4Y2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm3YS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.879
_cell_length_b   6.879
_cell_length_c   6.905
_cell_angle_alpha   80.315
_cell_angle_beta   80.315
_cell_angle_gamma   33.651
_symmetry_Int_Tables_number   1
_cell_volume   178.259
_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  0.248  0.248  0.253  1.0
  Sm  Sm1  1  0.500  0.500  0.500  1.0
  Sm  Sm2  1  0.752  0.752  0.747  1.0
  Y  Y3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.622  0.622  0.120  1.0
  S  S5  1  0.877  0.877  0.368  1.0
  S  S6  1  0.123  0.123  0.632  1.0
  S  S7  1  0.378  0.378  0.880  1.0
[/CIF]
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