The crystal structure described by SrAl2S4 crystallizes in the orthorhombic Cccm space group. Sr(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. Al(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form edge-sharing AlS4 tetrahedra. There are two inequivalent S sites. In the first S site, S(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Al(1) atoms. In the second S site, S(1) is bonded to two equivalent Sr(1) and two equivalent Al(1) atoms to form a mixture of corner and edge-sharing SSr2Al2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr(AlS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.050
_cell_length_b   6.050
_cell_length_c   10.587
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   121.295
_symmetry_Int_Tables_number   1
_cell_volume   331.096
_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  0.500  0.500  0.250  1.0
  Sr  Sr1  1  0.500  0.500  0.750  1.0
  Al  Al2  1  0.760  0.238  0.500  1.0
  Al  Al3  1  0.240  0.762  0.500  1.0
  Al  Al4  1  0.762  0.240  0.000  1.0
  Al  Al5  1  0.238  0.760  0.000  1.0
  S  S6  1  0.823  0.645  0.500  1.0
  S  S7  1  0.177  0.355  0.500  1.0
  S  S8  1  0.355  0.177  0.000  1.0
  S  S9  1  0.645  0.823  0.000  1.0
  S  S10  1  0.000  0.500  0.161  1.0
  S  S11  1  0.500  0.000  0.339  1.0
  S  S12  1  0.000  0.500  0.839  1.0
  S  S13  1  0.500  0.000  0.661  1.0
[/CIF]
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The crystal structure described by SrAl2S4 crystallizes in the orthorhombic Cccm space group. Sr(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. Al(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form edge-sharing AlS4 tetrahedra. There are two inequivalent S sites. In the first S site, S(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Al(1) atoms. In the second S site, S(1) is bonded to two equivalent Sr(1) and two equivalent Al(1) atoms to form a mixture of corner and edge-sharing SSr2Al2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr(AlS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.050
_cell_length_b   6.050
_cell_length_c   10.587
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   121.295
_symmetry_Int_Tables_number   1
_cell_volume   331.096
_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  0.500  0.500  0.250  1.0
  Sr  Sr1  1  0.500  0.500  0.750  1.0
  Al  Al2  1  0.760  0.238  0.500  1.0
  Al  Al3  1  0.240  0.762  0.500  1.0
  Al  Al4  1  0.762  0.240  0.000  1.0
  Al  Al5  1  0.238  0.760  0.000  1.0
  S  S6  1  0.823  0.645  0.500  1.0
  S  S7  1  0.177  0.355  0.500  1.0
  S  S8  1  0.355  0.177  0.000  1.0
  S  S9  1  0.645  0.823  0.000  1.0
  S  S10  1  0.000  0.500  0.161  1.0
  S  S11  1  0.500  0.000  0.339  1.0
  S  S12  1  0.000  0.500  0.839  1.0
  S  S13  1  0.500  0.000  0.661  1.0
[/CIF]
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