The material structure described by EuSm4S5 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. Eu(1) is bonded to six equivalent S(1) atoms to form EuS6 octahedra that share corners with six equivalent Sm(1)S6 octahedra, edges with six equivalent Eu(1)S6 octahedra, and edges with six equivalent Sm(1)S6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to three equivalent S(1) and three equivalent S(3) atoms to form SmS6 octahedra that share corners with three equivalent Eu(1)S6 octahedra, corners with three equivalent Sm(2)S6 octahedra, edges with three equivalent Eu(1)S6 octahedra, edges with three equivalent Sm(2)S6 octahedra, and edges with six equivalent Sm(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Sm site, Sm(2) is bonded to three equivalent S(2) and three equivalent S(3) atoms to form a mixture of edge and corner-sharing SmS6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Eu(1) and three equivalent Sm(1) atoms to form SSm3Eu3 octahedra that share corners with three equivalent S(1)Sm3Eu3 octahedra, corners with three equivalent S(3)Sm6 octahedra, edges with three equivalent S(3)Sm6 octahedra, and edges with nine equivalent S(1)Sm3Eu3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second S site, S(2) is bonded to six equivalent Sm(2) atoms to form a mixture of edge and corner-sharing SSm6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the third S site, S(3) is bonded to three equivalent Sm(1) and three equivalent Sm(2) atoms to form SSm6 octahedra that share corners with three equivalent S(1)Sm3Eu3 octahedra, corners with three equivalent S(2)Sm6 octahedra, edges with three equivalent S(1)Sm3Eu3 octahedra, edges with three equivalent S(2)Sm6 octahedra, and edges with six equivalent S(3)Sm6 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. is represented by the CIF file [CIF]
data_Sm4EuS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.473
_cell_length_b   16.473
_cell_length_c   16.473
_cell_angle_alpha   14.101
_cell_angle_beta   14.101
_cell_angle_gamma   14.101
_symmetry_Int_Tables_number   1
_cell_volume   230.943
_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  0.598  0.598  0.598  1.0
  Sm  Sm1  1  0.201  0.201  0.201  1.0
  Sm  Sm2  1  0.799  0.799  0.799  1.0
  Sm  Sm3  1  0.402  0.402  0.402  1.0
  Eu  Eu4  1  0.000  0.000  0.000  1.0
  S  S5  1  0.701  0.701  0.701  1.0
  S  S6  1  0.500  0.500  0.500  1.0
  S  S7  1  0.100  0.100  0.100  1.0
  S  S8  1  0.299  0.299  0.299  1.0
  S  S9  1  0.900  0.900  0.900  1.0
[/CIF]
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The material structure described by EuSm4S5 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. Eu(1) is bonded to six equivalent S(1) atoms to form EuS6 octahedra that share corners with six equivalent Sm(1)S6 octahedra, edges with six equivalent Eu(1)S6 octahedra, and edges with six equivalent Sm(1)S6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to three equivalent S(1) and three equivalent S(3) atoms to form SmS6 octahedra that share corners with three equivalent Eu(1)S6 octahedra, corners with three equivalent Sm(2)S6 octahedra, edges with three equivalent Eu(1)S6 octahedra, edges with three equivalent Sm(2)S6 octahedra, and edges with six equivalent Sm(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Sm site, Sm(2) is bonded to three equivalent S(2) and three equivalent S(3) atoms to form a mixture of edge and corner-sharing SmS6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Eu(1) and three equivalent Sm(1) atoms to form SSm3Eu3 octahedra that share corners with three equivalent S(1)Sm3Eu3 octahedra, corners with three equivalent S(3)Sm6 octahedra, edges with three equivalent S(3)Sm6 octahedra, and edges with nine equivalent S(1)Sm3Eu3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second S site, S(2) is bonded to six equivalent Sm(2) atoms to form a mixture of edge and corner-sharing SSm6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the third S site, S(3) is bonded to three equivalent Sm(1) and three equivalent Sm(2) atoms to form SSm6 octahedra that share corners with three equivalent S(1)Sm3Eu3 octahedra, corners with three equivalent S(2)Sm6 octahedra, edges with three equivalent S(1)Sm3Eu3 octahedra, edges with three equivalent S(2)Sm6 octahedra, and edges with six equivalent S(3)Sm6 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. is represented by the CIF file [CIF]
data_Sm4EuS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.473
_cell_length_b   16.473
_cell_length_c   16.473
_cell_angle_alpha   14.101
_cell_angle_beta   14.101
_cell_angle_gamma   14.101
_symmetry_Int_Tables_number   1
_cell_volume   230.943
_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  0.598  0.598  0.598  1.0
  Sm  Sm1  1  0.201  0.201  0.201  1.0
  Sm  Sm2  1  0.799  0.799  0.799  1.0
  Sm  Sm3  1  0.402  0.402  0.402  1.0
  Eu  Eu4  1  0.000  0.000  0.000  1.0
  S  S5  1  0.701  0.701  0.701  1.0
  S  S6  1  0.500  0.500  0.500  1.0
  S  S7  1  0.100  0.100  0.100  1.0
  S  S8  1  0.299  0.299  0.299  1.0
  S  S9  1  0.900  0.900  0.900  1.0
[/CIF]
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