The structure described by Ca2SnS4 is Spinel-like structured and crystallizes in the tetragonal P4_122 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form CaS6 octahedra that share corners with six equivalent Ca(2)S4 tetrahedra, edges with two equivalent Ca(1)S6 octahedra, and edges with four equivalent Sn(1)S6 octahedra. In the second Ca site, Ca(2) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form CaS4 tetrahedra that share corners with six equivalent Ca(1)S6 octahedra and corners with six equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 52-68°. Sn(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form SnS6 octahedra that share corners with six equivalent Ca(2)S4 tetrahedra, edges with two equivalent Sn(1)S6 octahedra, and edges with four equivalent Ca(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Ca(2), two equivalent Ca(1), and one Sn(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Ca(2), and two equivalent Sn(1) atoms. is represented by the CIF card [CIF]
data_Ca2SnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.014
_cell_length_b   8.014
_cell_length_c   11.544
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   741.518
_cell_formula_units_Z   4
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  0.263  0.000  0.250  1.0
  Ca  Ca1  1  0.737  0.000  0.750  1.0
  Ca  Ca2  1  0.000  0.263  0.500  1.0
  Ca  Ca3  1  0.000  0.737  0.000  1.0
  Ca  Ca4  1  0.244  0.244  0.875  1.0
  Ca  Ca5  1  0.756  0.756  0.375  1.0
  Ca  Ca6  1  0.756  0.244  0.125  1.0
  Ca  Ca7  1  0.244  0.756  0.625  1.0
  Sn  Sn8  1  0.256  0.500  0.250  1.0
  Sn  Sn9  1  0.744  0.500  0.750  1.0
  Sn  Sn10  1  0.500  0.256  0.500  1.0
  Sn  Sn11  1  0.500  0.744  0.000  1.0
  S  S12  1  0.037  0.269  0.254  1.0
  S  S13  1  0.963  0.731  0.754  1.0
  S  S14  1  0.731  0.037  0.504  1.0
  S  S15  1  0.269  0.963  0.004  1.0
  S  S16  1  0.963  0.269  0.746  1.0
  S  S17  1  0.037  0.731  0.246  1.0
  S  S18  1  0.269  0.037  0.496  1.0
  S  S19  1  0.731  0.963  0.996  1.0
  S  S20  1  0.495  0.272  0.275  1.0
  S  S21  1  0.505  0.728  0.775  1.0
  S  S22  1  0.728  0.495  0.525  1.0
  S  S23  1  0.272  0.505  0.025  1.0
  S  S24  1  0.505  0.272  0.725  1.0
  S  S25  1  0.495  0.728  0.225  1.0
  S  S26  1  0.272  0.495  0.475  1.0
  S  S27  1  0.728  0.505  0.975  1.0
[/CIF]
.
The structure described by Ca2SnS4 is Spinel-like structured and crystallizes in the tetragonal P4_122 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form CaS6 octahedra that share corners with six equivalent Ca(2)S4 tetrahedra, edges with two equivalent Ca(1)S6 octahedra, and edges with four equivalent Sn(1)S6 octahedra. In the second Ca site, Ca(2) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form CaS4 tetrahedra that share corners with six equivalent Ca(1)S6 octahedra and corners with six equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 52-68°. Sn(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form SnS6 octahedra that share corners with six equivalent Ca(2)S4 tetrahedra, edges with two equivalent Sn(1)S6 octahedra, and edges with four equivalent Ca(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Ca(2), two equivalent Ca(1), and one Sn(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Ca(2), and two equivalent Sn(1) atoms. is represented by the CIF card [CIF]
data_Ca2SnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.014
_cell_length_b   8.014
_cell_length_c   11.544
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   741.518
_cell_formula_units_Z   4
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  0.263  0.000  0.250  1.0
  Ca  Ca1  1  0.737  0.000  0.750  1.0
  Ca  Ca2  1  0.000  0.263  0.500  1.0
  Ca  Ca3  1  0.000  0.737  0.000  1.0
  Ca  Ca4  1  0.244  0.244  0.875  1.0
  Ca  Ca5  1  0.756  0.756  0.375  1.0
  Ca  Ca6  1  0.756  0.244  0.125  1.0
  Ca  Ca7  1  0.244  0.756  0.625  1.0
  Sn  Sn8  1  0.256  0.500  0.250  1.0
  Sn  Sn9  1  0.744  0.500  0.750  1.0
  Sn  Sn10  1  0.500  0.256  0.500  1.0
  Sn  Sn11  1  0.500  0.744  0.000  1.0
  S  S12  1  0.037  0.269  0.254  1.0
  S  S13  1  0.963  0.731  0.754  1.0
  S  S14  1  0.731  0.037  0.504  1.0
  S  S15  1  0.269  0.963  0.004  1.0
  S  S16  1  0.963  0.269  0.746  1.0
  S  S17  1  0.037  0.731  0.246  1.0
  S  S18  1  0.269  0.037  0.496  1.0
  S  S19  1  0.731  0.963  0.996  1.0
  S  S20  1  0.495  0.272  0.275  1.0
  S  S21  1  0.505  0.728  0.775  1.0
  S  S22  1  0.728  0.495  0.525  1.0
  S  S23  1  0.272  0.505  0.025  1.0
  S  S24  1  0.505  0.272  0.725  1.0
  S  S25  1  0.495  0.728  0.225  1.0
  S  S26  1  0.272  0.495  0.475  1.0
  S  S27  1  0.728  0.505  0.975  1.0
[/CIF]
.