The material structure described by Sr2SiS4 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one S(2), three equivalent S(1), and four equivalent S(3) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one S(1), three equivalent S(2), and four equivalent S(3) atoms. Si(1) is bonded in a tetrahedral geometry to one S(1), one S(2), and two equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Sr(2), three equivalent Sr(1), and one Si(1) atom. In the second S site, S(2) is bonded to one Sr(1), three equivalent Sr(2), and one Si(1) atom to form a mixture of distorted corner and edge-sharing SSr4Si trigonal bipyramids. In the third S site, S(3) is bonded to two equivalent Sr(1), two equivalent Sr(2), and one Si(1) atom to form a mixture of distorted corner, face, and edge-sharing SSr4Si square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2SiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.609
_cell_length_b   6.660
_cell_length_c   8.262
_cell_angle_alpha   90.000
_cell_angle_beta   108.216
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   345.410
_cell_formula_units_Z   2
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
  Sr  Sr0  1  0.284  0.750  0.952  1.0
  Sr  Sr1  1  0.716  0.250  0.048  1.0
  Sr  Sr2  1  0.225  0.750  0.429  1.0
  Sr  Sr3  1  0.775  0.250  0.571  1.0
  Si  Si4  1  0.721  0.750  0.797  1.0
  Si  Si5  1  0.279  0.250  0.203  1.0
  S  S6  1  0.886  0.750  0.062  1.0
  S  S7  1  0.114  0.250  0.938  1.0
  S  S8  1  0.917  0.750  0.636  1.0
  S  S9  1  0.083  0.250  0.364  1.0
  S  S10  1  0.510  0.502  0.737  1.0
  S  S11  1  0.490  0.002  0.263  1.0
  S  S12  1  0.490  0.498  0.263  1.0
  S  S13  1  0.510  0.998  0.737  1.0
[/CIF]
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The material structure described by Sr2SiS4 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one S(2), three equivalent S(1), and four equivalent S(3) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one S(1), three equivalent S(2), and four equivalent S(3) atoms. Si(1) is bonded in a tetrahedral geometry to one S(1), one S(2), and two equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Sr(2), three equivalent Sr(1), and one Si(1) atom. In the second S site, S(2) is bonded to one Sr(1), three equivalent Sr(2), and one Si(1) atom to form a mixture of distorted corner and edge-sharing SSr4Si trigonal bipyramids. In the third S site, S(3) is bonded to two equivalent Sr(1), two equivalent Sr(2), and one Si(1) atom to form a mixture of distorted corner, face, and edge-sharing SSr4Si square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2SiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.609
_cell_length_b   6.660
_cell_length_c   8.262
_cell_angle_alpha   90.000
_cell_angle_beta   108.216
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   345.410
_cell_formula_units_Z   2
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
  Sr  Sr0  1  0.284  0.750  0.952  1.0
  Sr  Sr1  1  0.716  0.250  0.048  1.0
  Sr  Sr2  1  0.225  0.750  0.429  1.0
  Sr  Sr3  1  0.775  0.250  0.571  1.0
  Si  Si4  1  0.721  0.750  0.797  1.0
  Si  Si5  1  0.279  0.250  0.203  1.0
  S  S6  1  0.886  0.750  0.062  1.0
  S  S7  1  0.114  0.250  0.938  1.0
  S  S8  1  0.917  0.750  0.636  1.0
  S  S9  1  0.083  0.250  0.364  1.0
  S  S10  1  0.510  0.502  0.737  1.0
  S  S11  1  0.490  0.002  0.263  1.0
  S  S12  1  0.490  0.498  0.263  1.0
  S  S13  1  0.510  0.998  0.737  1.0
[/CIF]
.