The structure described by SrPb3S4 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. Sr(1) is bonded to six equivalent S(2) atoms to form SrS6 octahedra that share corners with six equivalent Pb(1)S6 octahedra, edges with six equivalent Sr(1)S6 octahedra, and edges with six equivalent Pb(1)S6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form PbS6 octahedra that share corners with three equivalent Sr(1)S6 octahedra, corners with three equivalent Pb(2)S6 octahedra, edges with three equivalent Sr(1)S6 octahedra, edges with three equivalent Pb(2)S6 octahedra, and edges with six equivalent Pb(1)S6 octahedra. The corner-sharing octahedra are not tilted. In the second Pb site, Pb(2) is bonded to six equivalent S(1) atoms to form a mixture of edge and corner-sharing PbS6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Pb(1) and three equivalent Pb(2) atoms to form SPb6 octahedra that share corners with three equivalent S(1)Pb6 octahedra, corners with three equivalent S(2)Sr3Pb3 octahedra, edges with three equivalent S(2)Sr3Pb3 octahedra, and edges with nine equivalent S(1)Pb6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second S site, S(2) is bonded to three equivalent Sr(1) and three equivalent Pb(1) atoms to form SSr3Pb3 octahedra that share corners with three equivalent S(1)Pb6 octahedra, corners with three equivalent S(2)Sr3Pb3 octahedra, edges with three equivalent S(1)Pb6 octahedra, and edges with nine equivalent S(2)Sr3Pb3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the CIF card [CIF]
data_SrPb3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.067
_cell_length_b   14.067
_cell_length_c   14.067
_cell_angle_alpha   17.366
_cell_angle_beta   17.366
_cell_angle_gamma   17.366
_symmetry_Int_Tables_number   1
_cell_volume   216.383
_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
  Sr  Sr0  1  0.000  0.000  0.000  1.0
  Pb  Pb1  1  0.250  0.250  0.250  1.0
  Pb  Pb2  1  0.500  0.500  0.500  1.0
  Pb  Pb3  1  0.750  0.750  0.750  1.0
  S  S4  1  0.125  0.125  0.125  1.0
  S  S5  1  0.375  0.375  0.375  1.0
  S  S6  1  0.625  0.625  0.625  1.0
  S  S7  1  0.875  0.875  0.875  1.0
[/CIF]
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The structure described by SrPb3S4 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. Sr(1) is bonded to six equivalent S(2) atoms to form SrS6 octahedra that share corners with six equivalent Pb(1)S6 octahedra, edges with six equivalent Sr(1)S6 octahedra, and edges with six equivalent Pb(1)S6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form PbS6 octahedra that share corners with three equivalent Sr(1)S6 octahedra, corners with three equivalent Pb(2)S6 octahedra, edges with three equivalent Sr(1)S6 octahedra, edges with three equivalent Pb(2)S6 octahedra, and edges with six equivalent Pb(1)S6 octahedra. The corner-sharing octahedra are not tilted. In the second Pb site, Pb(2) is bonded to six equivalent S(1) atoms to form a mixture of edge and corner-sharing PbS6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Pb(1) and three equivalent Pb(2) atoms to form SPb6 octahedra that share corners with three equivalent S(1)Pb6 octahedra, corners with three equivalent S(2)Sr3Pb3 octahedra, edges with three equivalent S(2)Sr3Pb3 octahedra, and edges with nine equivalent S(1)Pb6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second S site, S(2) is bonded to three equivalent Sr(1) and three equivalent Pb(1) atoms to form SSr3Pb3 octahedra that share corners with three equivalent S(1)Pb6 octahedra, corners with three equivalent S(2)Sr3Pb3 octahedra, edges with three equivalent S(1)Pb6 octahedra, and edges with nine equivalent S(2)Sr3Pb3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the CIF card [CIF]
data_SrPb3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.067
_cell_length_b   14.067
_cell_length_c   14.067
_cell_angle_alpha   17.366
_cell_angle_beta   17.366
_cell_angle_gamma   17.366
_symmetry_Int_Tables_number   1
_cell_volume   216.383
_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
  Sr  Sr0  1  0.000  0.000  0.000  1.0
  Pb  Pb1  1  0.250  0.250  0.250  1.0
  Pb  Pb2  1  0.500  0.500  0.500  1.0
  Pb  Pb3  1  0.750  0.750  0.750  1.0
  S  S4  1  0.125  0.125  0.125  1.0
  S  S5  1  0.375  0.375  0.375  1.0
  S  S6  1  0.625  0.625  0.625  1.0
  S  S7  1  0.875  0.875  0.875  1.0
[/CIF]
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