The crystal structure described by CaSnS3 crystallizes in the hexagonal P6_3/mmc space group. Ca(1) is bonded in a hexagonal planar geometry to six equivalent S(1) atoms. Sn(1) is bonded to six equivalent S(1) atoms to form face-sharing SnS6 octahedra. S(1) is bonded in a rectangular see-saw-like geometry to two equivalent Ca(1) and two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaSnS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.711
_cell_length_b   6.711
_cell_length_c   6.351
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   247.747
_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
  Ca  Ca0  1  0.333  0.667  0.750  1.0
  Ca  Ca1  1  0.667  0.333  0.250  1.0
  Sn  Sn2  1  0.000  0.000  0.000  1.0
  Sn  Sn3  1  0.000  0.000  0.500  1.0
  S  S4  1  0.828  0.656  0.750  1.0
  S  S5  1  0.344  0.172  0.750  1.0
  S  S6  1  0.828  0.172  0.750  1.0
  S  S7  1  0.172  0.344  0.250  1.0
  S  S8  1  0.656  0.828  0.250  1.0
  S  S9  1  0.172  0.828  0.250  1.0
[/CIF]
.
The crystal structure described by CaSnS3 crystallizes in the hexagonal P6_3/mmc space group. Ca(1) is bonded in a hexagonal planar geometry to six equivalent S(1) atoms. Sn(1) is bonded to six equivalent S(1) atoms to form face-sharing SnS6 octahedra. S(1) is bonded in a rectangular see-saw-like geometry to two equivalent Ca(1) and two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaSnS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.711
_cell_length_b   6.711
_cell_length_c   6.351
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   247.747
_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
  Ca  Ca0  1  0.333  0.667  0.750  1.0
  Ca  Ca1  1  0.667  0.333  0.250  1.0
  Sn  Sn2  1  0.000  0.000  0.000  1.0
  Sn  Sn3  1  0.000  0.000  0.500  1.0
  S  S4  1  0.828  0.656  0.750  1.0
  S  S5  1  0.344  0.172  0.750  1.0
  S  S6  1  0.828  0.172  0.750  1.0
  S  S7  1  0.172  0.344  0.250  1.0
  S  S8  1  0.656  0.828  0.250  1.0
  S  S9  1  0.172  0.828  0.250  1.0
[/CIF]
.