The material described by Sr2SeS is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Sr(1) is bonded to three equivalent Se(1) and three equivalent S(1) atoms to form a mixture of corner and edge-sharing SrSe3S3 octahedra. The corner-sharing octahedra are not tilted. Se(1) is bonded to six equivalent Sr(1) atoms to form SeSr6 octahedra that share corners with six equivalent S(1)Sr6 octahedra, edges with six equivalent Se(1)Sr6 octahedra, and edges with six equivalent S(1)Sr6 octahedra. The corner-sharing octahedral tilt angles are 2°. S(1) is bonded to six equivalent Sr(1) atoms to form SSr6 octahedra that share corners with six equivalent Se(1)Sr6 octahedra, edges with six equivalent Se(1)Sr6 octahedra, and edges with six equivalent S(1)Sr6 octahedra. The corner-sharing octahedral tilt angles are 2°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2SeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.553
_cell_length_b   7.553
_cell_length_c   7.553
_cell_angle_alpha   33.521
_cell_angle_beta   33.521
_cell_angle_gamma   33.521
_symmetry_Int_Tables_number   1
_cell_volume   117.052
_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  0.247  0.247  0.247  1.0
  Sr  Sr1  1  0.753  0.753  0.753  1.0
  Se  Se2  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 material described by Sr2SeS is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Sr(1) is bonded to three equivalent Se(1) and three equivalent S(1) atoms to form a mixture of corner and edge-sharing SrSe3S3 octahedra. The corner-sharing octahedra are not tilted. Se(1) is bonded to six equivalent Sr(1) atoms to form SeSr6 octahedra that share corners with six equivalent S(1)Sr6 octahedra, edges with six equivalent Se(1)Sr6 octahedra, and edges with six equivalent S(1)Sr6 octahedra. The corner-sharing octahedral tilt angles are 2°. S(1) is bonded to six equivalent Sr(1) atoms to form SSr6 octahedra that share corners with six equivalent Se(1)Sr6 octahedra, edges with six equivalent Se(1)Sr6 octahedra, and edges with six equivalent S(1)Sr6 octahedra. The corner-sharing octahedral tilt angles are 2°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2SeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.553
_cell_length_b   7.553
_cell_length_c   7.553
_cell_angle_alpha   33.521
_cell_angle_beta   33.521
_cell_angle_gamma   33.521
_symmetry_Int_Tables_number   1
_cell_volume   117.052
_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  0.247  0.247  0.247  1.0
  Sr  Sr1  1  0.753  0.753  0.753  1.0
  Se  Se2  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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