The material structure described by GdSm4S5 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. Gd(1) is bonded to two equivalent S(3) and four equivalent S(1) atoms to form GdS6 octahedra that share corners with two equivalent Gd(1)S6 octahedra, corners with four equivalent Sm(2)S6 octahedra, edges with two equivalent Gd(1)S6 octahedra, edges with two equivalent Sm(2)S6 octahedra, and edges with eight equivalent Sm(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form SmS6 octahedra that share corners with two equivalent Sm(2)S6 octahedra, corners with four equivalent Sm(1)S6 octahedra, edges with three equivalent Sm(1)S6 octahedra, edges with four equivalent Gd(1)S6 octahedra, and edges with five equivalent Sm(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. 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 two equivalent Gd(1)S6 octahedra, corners with two equivalent Sm(1)S6 octahedra, corners with two equivalent Sm(2)S6 octahedra,  an edgeedge with one Gd(1)S6 octahedra, edges with five equivalent Sm(1)S6 octahedra, and edges with six equivalent Sm(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Gd(1), two equivalent Sm(1), and two equivalent Sm(2) atoms to form SSm4Gd2 octahedra that share corners with two equivalent S(2)Sm6 octahedra, corners with four equivalent S(1)Sm4Gd2 octahedra, edges with three equivalent S(1)Sm4Gd2 octahedra, edges with four equivalent S(3)Sm4Gd2 octahedra, and edges with five equivalent S(2)Sm6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second S site, S(2) is bonded to two equivalent Sm(1) and four equivalent Sm(2) atoms to form SSm6 octahedra that share corners with two equivalent S(1)Sm4Gd2 octahedra, corners with two equivalent S(3)Sm4Gd2 octahedra, corners with two equivalent S(2)Sm6 octahedra,  an edgeedge with one S(3)Sm4Gd2 octahedra, edges with five equivalent S(1)Sm4Gd2 octahedra, and edges with six equivalent S(2)Sm6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third S site, S(3) is bonded to two equivalent Gd(1) and four equivalent Sm(1) atoms to form SSm4Gd2 octahedra that share corners with two equivalent S(3)Sm4Gd2 octahedra, corners with four equivalent S(2)Sm6 octahedra, edges with two equivalent S(3)Sm4Gd2 octahedra, edges with two equivalent S(2)Sm6 octahedra, and edges with eight equivalent S(1)Sm4Gd2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Sm4GdS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.844
_cell_length_b   10.844
_cell_length_c   10.844
_cell_angle_alpha   157.876
_cell_angle_beta   149.276
_cell_angle_gamma   38.185
_symmetry_Int_Tables_number   1
_cell_volume   244.999
_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  0.601  0.601  0.000  1.0
  Sm  Sm1  1  0.200  0.200  0.000  1.0
  Sm  Sm2  1  0.800  0.800  0.000  1.0
  Sm  Sm3  1  0.399  0.399  0.000  1.0
  Gd  Gd4  1  0.000  0.000  0.000  1.0
  S  S5  1  0.903  0.403  0.500  1.0
  S  S6  1  0.700  0.200  0.500  1.0
  S  S7  1  0.300  0.800  0.500  1.0
  S  S8  1  0.500  0.000  0.500  1.0
  S  S9  1  0.097  0.597  0.500  1.0
[/CIF]
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The material structure described by GdSm4S5 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. Gd(1) is bonded to two equivalent S(3) and four equivalent S(1) atoms to form GdS6 octahedra that share corners with two equivalent Gd(1)S6 octahedra, corners with four equivalent Sm(2)S6 octahedra, edges with two equivalent Gd(1)S6 octahedra, edges with two equivalent Sm(2)S6 octahedra, and edges with eight equivalent Sm(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form SmS6 octahedra that share corners with two equivalent Sm(2)S6 octahedra, corners with four equivalent Sm(1)S6 octahedra, edges with three equivalent Sm(1)S6 octahedra, edges with four equivalent Gd(1)S6 octahedra, and edges with five equivalent Sm(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. 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 two equivalent Gd(1)S6 octahedra, corners with two equivalent Sm(1)S6 octahedra, corners with two equivalent Sm(2)S6 octahedra,  an edgeedge with one Gd(1)S6 octahedra, edges with five equivalent Sm(1)S6 octahedra, and edges with six equivalent Sm(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Gd(1), two equivalent Sm(1), and two equivalent Sm(2) atoms to form SSm4Gd2 octahedra that share corners with two equivalent S(2)Sm6 octahedra, corners with four equivalent S(1)Sm4Gd2 octahedra, edges with three equivalent S(1)Sm4Gd2 octahedra, edges with four equivalent S(3)Sm4Gd2 octahedra, and edges with five equivalent S(2)Sm6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second S site, S(2) is bonded to two equivalent Sm(1) and four equivalent Sm(2) atoms to form SSm6 octahedra that share corners with two equivalent S(1)Sm4Gd2 octahedra, corners with two equivalent S(3)Sm4Gd2 octahedra, corners with two equivalent S(2)Sm6 octahedra,  an edgeedge with one S(3)Sm4Gd2 octahedra, edges with five equivalent S(1)Sm4Gd2 octahedra, and edges with six equivalent S(2)Sm6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third S site, S(3) is bonded to two equivalent Gd(1) and four equivalent Sm(1) atoms to form SSm4Gd2 octahedra that share corners with two equivalent S(3)Sm4Gd2 octahedra, corners with four equivalent S(2)Sm6 octahedra, edges with two equivalent S(3)Sm4Gd2 octahedra, edges with two equivalent S(2)Sm6 octahedra, and edges with eight equivalent S(1)Sm4Gd2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Sm4GdS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.844
_cell_length_b   10.844
_cell_length_c   10.844
_cell_angle_alpha   157.876
_cell_angle_beta   149.276
_cell_angle_gamma   38.185
_symmetry_Int_Tables_number   1
_cell_volume   244.999
_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  0.601  0.601  0.000  1.0
  Sm  Sm1  1  0.200  0.200  0.000  1.0
  Sm  Sm2  1  0.800  0.800  0.000  1.0
  Sm  Sm3  1  0.399  0.399  0.000  1.0
  Gd  Gd4  1  0.000  0.000  0.000  1.0
  S  S5  1  0.903  0.403  0.500  1.0
  S  S6  1  0.700  0.200  0.500  1.0
  S  S7  1  0.300  0.800  0.500  1.0
  S  S8  1  0.500  0.000  0.500  1.0
  S  S9  1  0.097  0.597  0.500  1.0
[/CIF]
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