The compound described by Sm2SbS is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to two equivalent Sb(1) and four equivalent S(1) atoms to form SmSb2S4 octahedra that share corners with six equivalent Sm(1)Sb2S4 octahedra, edges with four equivalent Sm(1)Sb2S4 octahedra, and edges with eight equivalent Sm(2)Sb4S2 octahedra. The corner-sharing octahedra are not tilted. In the second Sm site, Sm(2) is bonded to four equivalent Sb(1) and two equivalent S(1) atoms to form SmSb4S2 octahedra that share corners with six equivalent Sm(2)Sb4S2 octahedra, edges with four equivalent Sm(2)Sb4S2 octahedra, and edges with eight equivalent Sm(1)Sb2S4 octahedra. The corner-sharing octahedra are not tilted. Sb(1) is bonded to two equivalent Sm(1) and four equivalent Sm(2) atoms to form SbSm6 octahedra that share corners with six equivalent Sb(1)Sm6 octahedra, edges with four equivalent Sb(1)Sm6 octahedra, and edges with eight equivalent S(1)Sm6 octahedra. The corner-sharing octahedra are not tilted. S(1) is bonded to two equivalent Sm(2) and four equivalent Sm(1) atoms to form SSm6 octahedra that share corners with six equivalent S(1)Sm6 octahedra, edges with four equivalent S(1)Sm6 octahedra, and edges with eight equivalent Sb(1)Sm6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Sm2SbS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.277
_cell_length_b   4.277
_cell_length_c   6.040
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   110.503
_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  0.000  0.000  0.500  1.0
  Sm  Sm1  1  0.500  0.500  0.000  1.0
  Sb  Sb2  1  0.000  0.000  0.000  1.0
  S  S3  1  0.500  0.500  0.500  1.0
[/CIF]
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The compound described by Sm2SbS is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to two equivalent Sb(1) and four equivalent S(1) atoms to form SmSb2S4 octahedra that share corners with six equivalent Sm(1)Sb2S4 octahedra, edges with four equivalent Sm(1)Sb2S4 octahedra, and edges with eight equivalent Sm(2)Sb4S2 octahedra. The corner-sharing octahedra are not tilted. In the second Sm site, Sm(2) is bonded to four equivalent Sb(1) and two equivalent S(1) atoms to form SmSb4S2 octahedra that share corners with six equivalent Sm(2)Sb4S2 octahedra, edges with four equivalent Sm(2)Sb4S2 octahedra, and edges with eight equivalent Sm(1)Sb2S4 octahedra. The corner-sharing octahedra are not tilted. Sb(1) is bonded to two equivalent Sm(1) and four equivalent Sm(2) atoms to form SbSm6 octahedra that share corners with six equivalent Sb(1)Sm6 octahedra, edges with four equivalent Sb(1)Sm6 octahedra, and edges with eight equivalent S(1)Sm6 octahedra. The corner-sharing octahedra are not tilted. S(1) is bonded to two equivalent Sm(2) and four equivalent Sm(1) atoms to form SSm6 octahedra that share corners with six equivalent S(1)Sm6 octahedra, edges with four equivalent S(1)Sm6 octahedra, and edges with eight equivalent Sb(1)Sm6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Sm2SbS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.277
_cell_length_b   4.277
_cell_length_c   6.040
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   110.503
_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  0.000  0.000  0.500  1.0
  Sm  Sm1  1  0.500  0.500  0.000  1.0
  Sb  Sb2  1  0.000  0.000  0.000  1.0
  S  S3  1  0.500  0.500  0.500  1.0
[/CIF]
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