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 6-coordinate geometry to one S(3), one S(4), two equivalent S(1), and two equivalent S(2) atoms. In the second Ca site, Ca(2) is bonded in a 5-coordinate geometry to one S(1), one S(4), two equivalent S(2), and two equivalent S(3) 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 in a distorted 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 to two equivalent Ca(1), two equivalent Ca(2), and one Sn(1) atom to form a mixture of distorted edge and corner-sharing SCa4Sn square pyramids. In the third S site, S(3) is bonded in a distorted see-saw-like geometry to one Ca(1), two equivalent Ca(2), and one Sn(1) atom. In the fourth S site, S(4) is bonded in a T-shaped geometry to one Ca(1), one Ca(2), and one Sn(1) atom. is represented by the CIF file [CIF]
data_Ca2SnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.157
_cell_length_b   6.802
_cell_length_c   15.579
_cell_angle_alpha   73.657
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   727.756
_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  0.247  0.796  0.024  1.0
  Ca  Ca1  1  0.747  0.204  0.476  1.0
  Ca  Ca2  1  0.753  0.204  0.976  1.0
  Ca  Ca3  1  0.253  0.796  0.524  1.0
  Ca  Ca4  1  0.331  0.741  0.283  1.0
  Ca  Ca5  1  0.831  0.259  0.217  1.0
  Ca  Ca6  1  0.669  0.259  0.717  1.0
  Ca  Ca7  1  0.169  0.741  0.783  1.0
  Sn  Sn8  1  0.265  0.257  0.095  1.0
  Sn  Sn9  1  0.765  0.743  0.405  1.0
  Sn  Sn10  1  0.735  0.743  0.905  1.0
  Sn  Sn11  1  0.235  0.257  0.595  1.0
  S  S12  1  0.009  0.012  0.120  1.0
  S  S13  1  0.509  0.988  0.380  1.0
  S  S14  1  0.991  0.988  0.880  1.0
  S  S15  1  0.491  0.012  0.620  1.0
  S  S16  1  0.014  0.992  0.372  1.0
  S  S17  1  0.514  0.008  0.128  1.0
  S  S18  1  0.986  0.008  0.628  1.0
  S  S19  1  0.486  0.992  0.872  1.0
  S  S20  1  0.186  0.474  0.187  1.0
  S  S21  1  0.686  0.526  0.313  1.0
  S  S22  1  0.814  0.526  0.813  1.0
  S  S23  1  0.314  0.474  0.687  1.0
  S  S24  1  0.217  0.466  0.444  1.0
  S  S25  1  0.717  0.534  0.056  1.0
  S  S26  1  0.783  0.534  0.556  1.0
  S  S27  1  0.283  0.466  0.944  1.0
[/CIF]
.
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 6-coordinate geometry to one S(3), one S(4), two equivalent S(1), and two equivalent S(2) atoms. In the second Ca site, Ca(2) is bonded in a 5-coordinate geometry to one S(1), one S(4), two equivalent S(2), and two equivalent S(3) 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 in a distorted 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 to two equivalent Ca(1), two equivalent Ca(2), and one Sn(1) atom to form a mixture of distorted edge and corner-sharing SCa4Sn square pyramids. In the third S site, S(3) is bonded in a distorted see-saw-like geometry to one Ca(1), two equivalent Ca(2), and one Sn(1) atom. In the fourth S site, S(4) is bonded in a T-shaped geometry to one Ca(1), one Ca(2), and one Sn(1) atom. is represented by the CIF file [CIF]
data_Ca2SnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.157
_cell_length_b   6.802
_cell_length_c   15.579
_cell_angle_alpha   73.657
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   727.756
_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  0.247  0.796  0.024  1.0
  Ca  Ca1  1  0.747  0.204  0.476  1.0
  Ca  Ca2  1  0.753  0.204  0.976  1.0
  Ca  Ca3  1  0.253  0.796  0.524  1.0
  Ca  Ca4  1  0.331  0.741  0.283  1.0
  Ca  Ca5  1  0.831  0.259  0.217  1.0
  Ca  Ca6  1  0.669  0.259  0.717  1.0
  Ca  Ca7  1  0.169  0.741  0.783  1.0
  Sn  Sn8  1  0.265  0.257  0.095  1.0
  Sn  Sn9  1  0.765  0.743  0.405  1.0
  Sn  Sn10  1  0.735  0.743  0.905  1.0
  Sn  Sn11  1  0.235  0.257  0.595  1.0
  S  S12  1  0.009  0.012  0.120  1.0
  S  S13  1  0.509  0.988  0.380  1.0
  S  S14  1  0.991  0.988  0.880  1.0
  S  S15  1  0.491  0.012  0.620  1.0
  S  S16  1  0.014  0.992  0.372  1.0
  S  S17  1  0.514  0.008  0.128  1.0
  S  S18  1  0.986  0.008  0.628  1.0
  S  S19  1  0.486  0.992  0.872  1.0
  S  S20  1  0.186  0.474  0.187  1.0
  S  S21  1  0.686  0.526  0.313  1.0
  S  S22  1  0.814  0.526  0.813  1.0
  S  S23  1  0.314  0.474  0.687  1.0
  S  S24  1  0.217  0.466  0.444  1.0
  S  S25  1  0.717  0.534  0.056  1.0
  S  S26  1  0.783  0.534  0.556  1.0
  S  S27  1  0.283  0.466  0.944  1.0
[/CIF]
.