The crystal structure described by Ca2SnS4 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a see-saw-like geometry to two equivalent S(1) and two equivalent S(2) atoms. In the second Ca site, Ca(2) is bonded in a see-saw-like geometry to two equivalent S(1) and two equivalent S(3) atoms. Sn(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form edge-sharing SnS6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Ca(2), and one Sn(1) atom. In the second S site, S(2) is bonded to two equivalent Ca(1) and two equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing SCa2Sn2 trigonal pyramids. In the third S site, S(3) is bonded to two equivalent Ca(2) and two equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing SCa2Sn2 trigonal pyramids. is represented by the CIF card [CIF]
data_Ca2SnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.926
_cell_length_b   9.956
_cell_length_c   10.228
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   908.951
_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  0.000  0.696  0.353  1.0
  Ca  Ca1  1  0.000  0.304  0.647  1.0
  Ca  Ca2  1  0.000  0.804  0.853  1.0
  Ca  Ca3  1  0.000  0.196  0.147  1.0
  Ca  Ca4  1  0.500  0.359  0.300  1.0
  Ca  Ca5  1  0.500  0.641  0.700  1.0
  Ca  Ca6  1  0.500  0.141  0.800  1.0
  Ca  Ca7  1  0.500  0.859  0.200  1.0
  Sn  Sn8  1  0.750  0.000  0.500  1.0
  Sn  Sn9  1  0.250  0.500  0.000  1.0
  Sn  Sn10  1  0.250  0.000  0.500  1.0
  Sn  Sn11  1  0.750  0.500  0.000  1.0
  S  S12  1  0.749  0.674  0.829  1.0
  S  S13  1  0.749  0.326  0.171  1.0
  S  S14  1  0.251  0.826  0.329  1.0
  S  S15  1  0.251  0.174  0.671  1.0
  S  S16  1  0.251  0.326  0.171  1.0
  S  S17  1  0.251  0.674  0.829  1.0
  S  S18  1  0.749  0.174  0.671  1.0
  S  S19  1  0.749  0.826  0.329  1.0
  S  S20  1  0.000  0.144  0.408  1.0
  S  S21  1  0.000  0.856  0.592  1.0
  S  S22  1  0.000  0.356  0.908  1.0
  S  S23  1  0.000  0.644  0.092  1.0
  S  S24  1  0.500  0.096  0.362  1.0
  S  S25  1  0.500  0.904  0.638  1.0
  S  S26  1  0.500  0.404  0.862  1.0
  S  S27  1  0.500  0.596  0.138  1.0
[/CIF]
.
The crystal structure described by Ca2SnS4 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a see-saw-like geometry to two equivalent S(1) and two equivalent S(2) atoms. In the second Ca site, Ca(2) is bonded in a see-saw-like geometry to two equivalent S(1) and two equivalent S(3) atoms. Sn(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form edge-sharing SnS6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Ca(2), and one Sn(1) atom. In the second S site, S(2) is bonded to two equivalent Ca(1) and two equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing SCa2Sn2 trigonal pyramids. In the third S site, S(3) is bonded to two equivalent Ca(2) and two equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing SCa2Sn2 trigonal pyramids. is represented by the CIF card [CIF]
data_Ca2SnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.926
_cell_length_b   9.956
_cell_length_c   10.228
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   908.951
_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  0.000  0.696  0.353  1.0
  Ca  Ca1  1  0.000  0.304  0.647  1.0
  Ca  Ca2  1  0.000  0.804  0.853  1.0
  Ca  Ca3  1  0.000  0.196  0.147  1.0
  Ca  Ca4  1  0.500  0.359  0.300  1.0
  Ca  Ca5  1  0.500  0.641  0.700  1.0
  Ca  Ca6  1  0.500  0.141  0.800  1.0
  Ca  Ca7  1  0.500  0.859  0.200  1.0
  Sn  Sn8  1  0.750  0.000  0.500  1.0
  Sn  Sn9  1  0.250  0.500  0.000  1.0
  Sn  Sn10  1  0.250  0.000  0.500  1.0
  Sn  Sn11  1  0.750  0.500  0.000  1.0
  S  S12  1  0.749  0.674  0.829  1.0
  S  S13  1  0.749  0.326  0.171  1.0
  S  S14  1  0.251  0.826  0.329  1.0
  S  S15  1  0.251  0.174  0.671  1.0
  S  S16  1  0.251  0.326  0.171  1.0
  S  S17  1  0.251  0.674  0.829  1.0
  S  S18  1  0.749  0.174  0.671  1.0
  S  S19  1  0.749  0.826  0.329  1.0
  S  S20  1  0.000  0.144  0.408  1.0
  S  S21  1  0.000  0.856  0.592  1.0
  S  S22  1  0.000  0.356  0.908  1.0
  S  S23  1  0.000  0.644  0.092  1.0
  S  S24  1  0.500  0.096  0.362  1.0
  S  S25  1  0.500  0.904  0.638  1.0
  S  S26  1  0.500  0.404  0.862  1.0
  S  S27  1  0.500  0.596  0.138  1.0
[/CIF]
.