The material described by Ca2SnS4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. Ca(1) is bonded in a 5-coordinate geometry to one S(2) and four equivalent S(1) atoms. Sn(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form corner-sharing SnS6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent S sites. In the first S site, S(2) is bonded in a linear geometry to one Ca(1) and one Sn(1) atom. In the second S site, S(1) is bonded to four equivalent Ca(1) and two equivalent Sn(1) atoms to form a mixture of edge, corner, and face-sharing SCa4Sn2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Ca2SnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.916
_cell_length_b   7.916
_cell_length_c   7.916
_cell_angle_alpha   143.215
_cell_angle_beta   143.215
_cell_angle_gamma   53.002
_symmetry_Int_Tables_number   1
_cell_volume   176.802
_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
  Ca  Ca0  1  0.364  0.364  0.000  1.0
  Ca  Ca1  1  0.636  0.636  0.000  1.0
  Sn  Sn2  1  0.000  0.000  0.000  1.0
  S  S3  1  0.000  0.500  0.500  1.0
  S  S4  1  0.500  0.000  0.500  1.0
  S  S5  1  0.175  0.175  0.000  1.0
  S  S6  1  0.825  0.825  0.000  1.0
[/CIF]
.
The material described by Ca2SnS4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. Ca(1) is bonded in a 5-coordinate geometry to one S(2) and four equivalent S(1) atoms. Sn(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form corner-sharing SnS6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent S sites. In the first S site, S(2) is bonded in a linear geometry to one Ca(1) and one Sn(1) atom. In the second S site, S(1) is bonded to four equivalent Ca(1) and two equivalent Sn(1) atoms to form a mixture of edge, corner, and face-sharing SCa4Sn2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Ca2SnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.916
_cell_length_b   7.916
_cell_length_c   7.916
_cell_angle_alpha   143.215
_cell_angle_beta   143.215
_cell_angle_gamma   53.002
_symmetry_Int_Tables_number   1
_cell_volume   176.802
_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
  Ca  Ca0  1  0.364  0.364  0.000  1.0
  Ca  Ca1  1  0.636  0.636  0.000  1.0
  Sn  Sn2  1  0.000  0.000  0.000  1.0
  S  S3  1  0.000  0.500  0.500  1.0
  S  S4  1  0.500  0.000  0.500  1.0
  S  S5  1  0.175  0.175  0.000  1.0
  S  S6  1  0.825  0.825  0.000  1.0
[/CIF]
.