The crystal structure described by SrTiS3 crystallizes in the hexagonal P6_3/mmc space group. Sr(1) is bonded to twelve equivalent S(1) atoms to form SrS12 cuboctahedra that share corners with six equivalent Sr(1)S12 cuboctahedra, corners with six equivalent Ti(1)S6 octahedra, faces with eight equivalent Sr(1)S12 cuboctahedra, and faces with six equivalent Ti(1)S6 octahedra. The corner-sharing octahedral tilt angles are 20°. Ti(1) is bonded to six equivalent S(1) atoms to form TiS6 octahedra that share corners with six equivalent Sr(1)S12 cuboctahedra, faces with six equivalent Sr(1)S12 cuboctahedra, and faces with two equivalent Ti(1)S6 octahedra. S(1) is bonded to four equivalent Sr(1) and two equivalent Ti(1) atoms to form a mixture of distorted corner, face, and edge-sharing SSr4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. is represented by the CIF file [CIF]
data_SrTiS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.622
_cell_length_b   6.622
_cell_length_c   5.812
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   220.756
_cell_formula_units_Z   2
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  0.333  0.667  0.750  1.0
  Sr  Sr1  1  0.667  0.333  0.250  1.0
  Ti  Ti2  1  0.000  0.000  0.500  1.0
  Ti  Ti3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.170  0.830  0.250  1.0
  S  S5  1  0.170  0.339  0.250  1.0
  S  S6  1  0.661  0.830  0.250  1.0
  S  S7  1  0.830  0.170  0.750  1.0
  S  S8  1  0.830  0.661  0.750  1.0
  S  S9  1  0.339  0.170  0.750  1.0
[/CIF]
.
The crystal structure described by SrTiS3 crystallizes in the hexagonal P6_3/mmc space group. Sr(1) is bonded to twelve equivalent S(1) atoms to form SrS12 cuboctahedra that share corners with six equivalent Sr(1)S12 cuboctahedra, corners with six equivalent Ti(1)S6 octahedra, faces with eight equivalent Sr(1)S12 cuboctahedra, and faces with six equivalent Ti(1)S6 octahedra. The corner-sharing octahedral tilt angles are 20°. Ti(1) is bonded to six equivalent S(1) atoms to form TiS6 octahedra that share corners with six equivalent Sr(1)S12 cuboctahedra, faces with six equivalent Sr(1)S12 cuboctahedra, and faces with two equivalent Ti(1)S6 octahedra. S(1) is bonded to four equivalent Sr(1) and two equivalent Ti(1) atoms to form a mixture of distorted corner, face, and edge-sharing SSr4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. is represented by the CIF file [CIF]
data_SrTiS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.622
_cell_length_b   6.622
_cell_length_c   5.812
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   220.756
_cell_formula_units_Z   2
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  0.333  0.667  0.750  1.0
  Sr  Sr1  1  0.667  0.333  0.250  1.0
  Ti  Ti2  1  0.000  0.000  0.500  1.0
  Ti  Ti3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.170  0.830  0.250  1.0
  S  S5  1  0.170  0.339  0.250  1.0
  S  S6  1  0.661  0.830  0.250  1.0
  S  S7  1  0.830  0.170  0.750  1.0
  S  S8  1  0.830  0.661  0.750  1.0
  S  S9  1  0.339  0.170  0.750  1.0
[/CIF]
.