The crystal structure described by Sr4SeS3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one Se(1), two equivalent S(2), and three equivalent S(1) atoms to form SrSeS5 octahedra that share corners with three equivalent Sr(2)Se2S4 octahedra, corners with three equivalent Sr(1)SeS5 octahedra, edges with five equivalent Sr(1)SeS5 octahedra, and edges with seven equivalent Sr(2)Se2S4 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Sr site, Sr(2) is bonded to two equivalent Se(1), one S(2), and three equivalent S(1) atoms to form SrSe2S4 octahedra that share corners with three equivalent Sr(2)Se2S4 octahedra, corners with three equivalent Sr(1)SeS5 octahedra, edges with five equivalent Sr(2)Se2S4 octahedra, and edges with seven equivalent Sr(1)SeS5 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Se(1) is bonded to two equivalent Sr(1) and four equivalent Sr(2) atoms to form SeSr6 octahedra that share corners with six equivalent S(1)Sr6 octahedra, edges with two equivalent Se(1)Sr6 octahedra, edges with four equivalent S(2)Sr6 octahedra, and edges with six equivalent S(1)Sr6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Sr(1) and three equivalent Sr(2) atoms to form SSr6 octahedra that share corners with three equivalent Se(1)Sr6 octahedra, corners with three equivalent S(2)Sr6 octahedra, edges with three equivalent Se(1)Sr6 octahedra, edges with three equivalent S(2)Sr6 octahedra, and edges with six equivalent S(1)Sr6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the second S site, S(2) is bonded to two equivalent Sr(2) and four equivalent Sr(1) atoms to form SSr6 octahedra that share corners with six equivalent S(1)Sr6 octahedra, edges with two equivalent S(2)Sr6 octahedra, edges with four equivalent Se(1)Sr6 octahedra, and edges with six equivalent S(1)Sr6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr4SeS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.478
_cell_length_b   7.478
_cell_length_c   7.482
_cell_angle_alpha   80.393
_cell_angle_beta   80.393
_cell_angle_gamma   33.556
_symmetry_Int_Tables_number   1
_cell_volume   227.692
_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  0.626  0.626  0.120  1.0
  Sr  Sr1  1  0.374  0.374  0.880  1.0
  Sr  Sr2  1  0.128  0.128  0.629  1.0
  Sr  Sr3  1  0.872  0.872  0.371  1.0
  Se  Se4  1  0.500  0.500  0.500  1.0
  S  S5  1  0.249  0.249  0.249  1.0
  S  S6  1  0.000  0.000  0.000  1.0
  S  S7  1  0.751  0.751  0.751  1.0
[/CIF]
.
The crystal structure described by Sr4SeS3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one Se(1), two equivalent S(2), and three equivalent S(1) atoms to form SrSeS5 octahedra that share corners with three equivalent Sr(2)Se2S4 octahedra, corners with three equivalent Sr(1)SeS5 octahedra, edges with five equivalent Sr(1)SeS5 octahedra, and edges with seven equivalent Sr(2)Se2S4 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Sr site, Sr(2) is bonded to two equivalent Se(1), one S(2), and three equivalent S(1) atoms to form SrSe2S4 octahedra that share corners with three equivalent Sr(2)Se2S4 octahedra, corners with three equivalent Sr(1)SeS5 octahedra, edges with five equivalent Sr(2)Se2S4 octahedra, and edges with seven equivalent Sr(1)SeS5 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Se(1) is bonded to two equivalent Sr(1) and four equivalent Sr(2) atoms to form SeSr6 octahedra that share corners with six equivalent S(1)Sr6 octahedra, edges with two equivalent Se(1)Sr6 octahedra, edges with four equivalent S(2)Sr6 octahedra, and edges with six equivalent S(1)Sr6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Sr(1) and three equivalent Sr(2) atoms to form SSr6 octahedra that share corners with three equivalent Se(1)Sr6 octahedra, corners with three equivalent S(2)Sr6 octahedra, edges with three equivalent Se(1)Sr6 octahedra, edges with three equivalent S(2)Sr6 octahedra, and edges with six equivalent S(1)Sr6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the second S site, S(2) is bonded to two equivalent Sr(2) and four equivalent Sr(1) atoms to form SSr6 octahedra that share corners with six equivalent S(1)Sr6 octahedra, edges with two equivalent S(2)Sr6 octahedra, edges with four equivalent Se(1)Sr6 octahedra, and edges with six equivalent S(1)Sr6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr4SeS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.478
_cell_length_b   7.478
_cell_length_c   7.482
_cell_angle_alpha   80.393
_cell_angle_beta   80.393
_cell_angle_gamma   33.556
_symmetry_Int_Tables_number   1
_cell_volume   227.692
_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  0.626  0.626  0.120  1.0
  Sr  Sr1  1  0.374  0.374  0.880  1.0
  Sr  Sr2  1  0.128  0.128  0.629  1.0
  Sr  Sr3  1  0.872  0.872  0.371  1.0
  Se  Se4  1  0.500  0.500  0.500  1.0
  S  S5  1  0.249  0.249  0.249  1.0
  S  S6  1  0.000  0.000  0.000  1.0
  S  S7  1  0.751  0.751  0.751  1.0
[/CIF]
.