The material structure described by Ca2SnS4 crystallizes in the orthorhombic Pnma 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(2), two equivalent S(3), and four equivalent S(1) atoms. In the second Ca site, Ca(2) is bonded in a 5-coordinate geometry to one S(2) and four equivalent S(1) atoms. Sn(1) is bonded in a distorted tetrahedral geometry to one S(2), one S(3), and two equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and one Sn(1) atom. In the second S site, S(2) is bonded in a T-shaped geometry to one Ca(1), one Ca(2), and one Sn(1) atom. In the third S site, S(3) is bonded in a 3-coordinate geometry to two equivalent Ca(1) 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   7.275
_cell_length_b   8.291
_cell_length_c   12.396
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   747.724
_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  0.250  0.439  0.828  1.0
  Ca  Ca1  1  0.250  0.939  0.672  1.0
  Ca  Ca2  1  0.750  0.561  0.172  1.0
  Ca  Ca3  1  0.750  0.061  0.328  1.0
  Ca  Ca4  1  0.250  0.096  0.039  1.0
  Ca  Ca5  1  0.250  0.596  0.461  1.0
  Ca  Ca6  1  0.750  0.904  0.961  1.0
  Ca  Ca7  1  0.750  0.404  0.539  1.0
  Sn  Sn8  1  0.250  0.204  0.439  1.0
  Sn  Sn9  1  0.250  0.704  0.061  1.0
  Sn  Sn10  1  0.750  0.796  0.561  1.0
  Sn  Sn11  1  0.750  0.296  0.939  1.0
  S  S12  1  0.494  0.147  0.864  1.0
  S  S13  1  0.006  0.647  0.636  1.0
  S  S14  1  0.994  0.853  0.136  1.0
  S  S15  1  0.506  0.353  0.364  1.0
  S  S16  1  0.506  0.853  0.136  1.0
  S  S17  1  0.994  0.353  0.364  1.0
  S  S18  1  0.006  0.147  0.864  1.0
  S  S19  1  0.494  0.647  0.636  1.0
  S  S20  1  0.250  0.422  0.066  1.0
  S  S21  1  0.250  0.922  0.434  1.0
  S  S22  1  0.750  0.578  0.934  1.0
  S  S23  1  0.750  0.078  0.566  1.0
  S  S24  1  0.250  0.274  0.626  1.0
  S  S25  1  0.250  0.774  0.874  1.0
  S  S26  1  0.750  0.726  0.374  1.0
  S  S27  1  0.750  0.226  0.126  1.0
[/CIF]
.
The material structure described by Ca2SnS4 crystallizes in the orthorhombic Pnma 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(2), two equivalent S(3), and four equivalent S(1) atoms. In the second Ca site, Ca(2) is bonded in a 5-coordinate geometry to one S(2) and four equivalent S(1) atoms. Sn(1) is bonded in a distorted tetrahedral geometry to one S(2), one S(3), and two equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and one Sn(1) atom. In the second S site, S(2) is bonded in a T-shaped geometry to one Ca(1), one Ca(2), and one Sn(1) atom. In the third S site, S(3) is bonded in a 3-coordinate geometry to two equivalent Ca(1) 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   7.275
_cell_length_b   8.291
_cell_length_c   12.396
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   747.724
_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  0.250  0.439  0.828  1.0
  Ca  Ca1  1  0.250  0.939  0.672  1.0
  Ca  Ca2  1  0.750  0.561  0.172  1.0
  Ca  Ca3  1  0.750  0.061  0.328  1.0
  Ca  Ca4  1  0.250  0.096  0.039  1.0
  Ca  Ca5  1  0.250  0.596  0.461  1.0
  Ca  Ca6  1  0.750  0.904  0.961  1.0
  Ca  Ca7  1  0.750  0.404  0.539  1.0
  Sn  Sn8  1  0.250  0.204  0.439  1.0
  Sn  Sn9  1  0.250  0.704  0.061  1.0
  Sn  Sn10  1  0.750  0.796  0.561  1.0
  Sn  Sn11  1  0.750  0.296  0.939  1.0
  S  S12  1  0.494  0.147  0.864  1.0
  S  S13  1  0.006  0.647  0.636  1.0
  S  S14  1  0.994  0.853  0.136  1.0
  S  S15  1  0.506  0.353  0.364  1.0
  S  S16  1  0.506  0.853  0.136  1.0
  S  S17  1  0.994  0.353  0.364  1.0
  S  S18  1  0.006  0.147  0.864  1.0
  S  S19  1  0.494  0.647  0.636  1.0
  S  S20  1  0.250  0.422  0.066  1.0
  S  S21  1  0.250  0.922  0.434  1.0
  S  S22  1  0.750  0.578  0.934  1.0
  S  S23  1  0.750  0.078  0.566  1.0
  S  S24  1  0.250  0.274  0.626  1.0
  S  S25  1  0.250  0.774  0.874  1.0
  S  S26  1  0.750  0.726  0.374  1.0
  S  S27  1  0.750  0.226  0.126  1.0
[/CIF]
.