The structure described by Ca2SnS4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one S(4), two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to two equivalent S(1), two equivalent S(2), and three equivalent S(4) atoms. Sn(1) is bonded in a tetrahedral geometry to one S(1), one S(2), one S(3), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ca(1), two equivalent Ca(2), and one Sn(1) atom to form a mixture of distorted corner and edge-sharing SCa4Sn trigonal bipyramids. In the second S site, S(2) is bonded in a 5-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and one Sn(1) atom. In the third S site, S(3) is bonded in a distorted T-shaped geometry to two equivalent Ca(1) and one Sn(1) atom. In the fourth S site, S(4) is bonded to one Ca(1), three equivalent Ca(2), and one Sn(1) atom to form a mixture of distorted corner and edge-sharing SCa4Sn trigonal bipyramids. is represented by the CIF card [CIF]
data_Ca2SnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.327
_cell_length_b   7.915
_cell_length_c   11.065
_cell_angle_alpha   68.125
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   676.766
_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  0.188  0.034  0.647  1.0
  Ca  Ca1  1  0.688  0.966  0.853  1.0
  Ca  Ca2  1  0.812  0.966  0.353  1.0
  Ca  Ca3  1  0.312  0.034  0.147  1.0
  Ca  Ca4  1  0.126  0.438  0.828  1.0
  Ca  Ca5  1  0.626  0.562  0.672  1.0
  Ca  Ca6  1  0.874  0.562  0.172  1.0
  Ca  Ca7  1  0.374  0.438  0.328  1.0
  Sn  Sn8  1  0.181  0.697  0.485  1.0
  Sn  Sn9  1  0.681  0.303  0.015  1.0
  Sn  Sn10  1  0.819  0.303  0.515  1.0
  Sn  Sn11  1  0.319  0.697  0.985  1.0
  S  S12  1  0.028  0.240  0.389  1.0
  S  S13  1  0.528  0.760  0.111  1.0
  S  S14  1  0.972  0.760  0.611  1.0
  S  S15  1  0.472  0.240  0.889  1.0
  S  S16  1  0.107  0.732  0.266  1.0
  S  S17  1  0.607  0.268  0.234  1.0
  S  S18  1  0.893  0.268  0.734  1.0
  S  S19  1  0.393  0.732  0.766  1.0
  S  S20  1  0.126  0.935  0.926  1.0
  S  S21  1  0.626  0.065  0.574  1.0
  S  S22  1  0.874  0.065  0.074  1.0
  S  S23  1  0.374  0.935  0.426  1.0
  S  S24  1  0.187  0.406  0.095  1.0
  S  S25  1  0.687  0.594  0.405  1.0
  S  S26  1  0.813  0.594  0.905  1.0
  S  S27  1  0.313  0.406  0.595  1.0
[/CIF]
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The structure described by Ca2SnS4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one S(4), two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to two equivalent S(1), two equivalent S(2), and three equivalent S(4) atoms. Sn(1) is bonded in a tetrahedral geometry to one S(1), one S(2), one S(3), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ca(1), two equivalent Ca(2), and one Sn(1) atom to form a mixture of distorted corner and edge-sharing SCa4Sn trigonal bipyramids. In the second S site, S(2) is bonded in a 5-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and one Sn(1) atom. In the third S site, S(3) is bonded in a distorted T-shaped geometry to two equivalent Ca(1) and one Sn(1) atom. In the fourth S site, S(4) is bonded to one Ca(1), three equivalent Ca(2), and one Sn(1) atom to form a mixture of distorted corner and edge-sharing SCa4Sn trigonal bipyramids. is represented by the CIF card [CIF]
data_Ca2SnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.327
_cell_length_b   7.915
_cell_length_c   11.065
_cell_angle_alpha   68.125
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   676.766
_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  0.188  0.034  0.647  1.0
  Ca  Ca1  1  0.688  0.966  0.853  1.0
  Ca  Ca2  1  0.812  0.966  0.353  1.0
  Ca  Ca3  1  0.312  0.034  0.147  1.0
  Ca  Ca4  1  0.126  0.438  0.828  1.0
  Ca  Ca5  1  0.626  0.562  0.672  1.0
  Ca  Ca6  1  0.874  0.562  0.172  1.0
  Ca  Ca7  1  0.374  0.438  0.328  1.0
  Sn  Sn8  1  0.181  0.697  0.485  1.0
  Sn  Sn9  1  0.681  0.303  0.015  1.0
  Sn  Sn10  1  0.819  0.303  0.515  1.0
  Sn  Sn11  1  0.319  0.697  0.985  1.0
  S  S12  1  0.028  0.240  0.389  1.0
  S  S13  1  0.528  0.760  0.111  1.0
  S  S14  1  0.972  0.760  0.611  1.0
  S  S15  1  0.472  0.240  0.889  1.0
  S  S16  1  0.107  0.732  0.266  1.0
  S  S17  1  0.607  0.268  0.234  1.0
  S  S18  1  0.893  0.268  0.734  1.0
  S  S19  1  0.393  0.732  0.766  1.0
  S  S20  1  0.126  0.935  0.926  1.0
  S  S21  1  0.626  0.065  0.574  1.0
  S  S22  1  0.874  0.065  0.074  1.0
  S  S23  1  0.374  0.935  0.426  1.0
  S  S24  1  0.187  0.406  0.095  1.0
  S  S25  1  0.687  0.594  0.405  1.0
  S  S26  1  0.813  0.594  0.905  1.0
  S  S27  1  0.313  0.406  0.595  1.0
[/CIF]
.