The material described by SrGa2S4 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. Ga(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form edge-sharing GaS4 tetrahedra. There are two inequivalent S sites. In the first S site, S(2) is bonded to two equivalent Sr(1) and two equivalent Ga(1) atoms to form a mixture of distorted corner and edge-sharing SSr2Ga2 trigonal pyramids. In the second S site, S(1) is bonded to two equivalent Sr(1) and two equivalent Ga(1) atoms to form a mixture of corner and edge-sharing SSr2Ga2 trigonal pyramids. is represented by the CIF card [CIF]
data_Sr(GaS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.054
_cell_length_b   6.054
_cell_length_c   10.567
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.360
_symmetry_Int_Tables_number   1
_cell_volume   334.170
_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  0.750  1.0
  Sr  Sr1  1  0.500  0.500  0.250  1.0
  Ga  Ga2  1  0.764  0.239  0.500  1.0
  Ga  Ga3  1  0.236  0.761  0.500  1.0
  Ga  Ga4  1  0.761  0.236  0.000  1.0
  Ga  Ga5  1  0.239  0.764  0.000  1.0
  S  S6  1  0.355  0.181  0.500  1.0
  S  S7  1  0.645  0.819  0.500  1.0
  S  S8  1  0.819  0.645  0.000  1.0
  S  S9  1  0.181  0.355  0.000  1.0
  S  S10  1  0.500  0.000  0.836  1.0
  S  S11  1  0.000  0.500  0.664  1.0
  S  S12  1  0.500  0.000  0.164  1.0
  S  S13  1  0.000  0.500  0.336  1.0
[/CIF]
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The material described by SrGa2S4 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. Ga(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form edge-sharing GaS4 tetrahedra. There are two inequivalent S sites. In the first S site, S(2) is bonded to two equivalent Sr(1) and two equivalent Ga(1) atoms to form a mixture of distorted corner and edge-sharing SSr2Ga2 trigonal pyramids. In the second S site, S(1) is bonded to two equivalent Sr(1) and two equivalent Ga(1) atoms to form a mixture of corner and edge-sharing SSr2Ga2 trigonal pyramids. is represented by the CIF card [CIF]
data_Sr(GaS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.054
_cell_length_b   6.054
_cell_length_c   10.567
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.360
_symmetry_Int_Tables_number   1
_cell_volume   334.170
_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  0.750  1.0
  Sr  Sr1  1  0.500  0.500  0.250  1.0
  Ga  Ga2  1  0.764  0.239  0.500  1.0
  Ga  Ga3  1  0.236  0.761  0.500  1.0
  Ga  Ga4  1  0.761  0.236  0.000  1.0
  Ga  Ga5  1  0.239  0.764  0.000  1.0
  S  S6  1  0.355  0.181  0.500  1.0
  S  S7  1  0.645  0.819  0.500  1.0
  S  S8  1  0.819  0.645  0.000  1.0
  S  S9  1  0.181  0.355  0.000  1.0
  S  S10  1  0.500  0.000  0.836  1.0
  S  S11  1  0.000  0.500  0.664  1.0
  S  S12  1  0.500  0.000  0.164  1.0
  S  S13  1  0.000  0.500  0.336  1.0
[/CIF]
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