The crystal structure described by Na3GaS3 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one Ga(1), one S(2), two equivalent S(1), and two equivalent S(3) atoms. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent S(3) atoms. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent S(3) atoms. Ga(1) is bonded to one Na(1), one S(1), one S(3), and two equivalent S(2) atoms to form distorted edge-sharing GaNaS4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 7-coordinate geometry to two equivalent Na(1), two equivalent Na(2), two equivalent Na(3), and one Ga(1) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Na(1) and two equivalent Ga(1) atoms. In the third S site, S(3) is bonded in a 7-coordinate geometry to two equivalent Na(1), two equivalent Na(2), two equivalent Na(3), and one Ga(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3GaS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.894
_cell_length_b   7.152
_cell_length_c   14.450
_cell_angle_alpha   60.981
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   623.043
_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
  Na  Na0  1  0.035  0.935  0.290  1.0
  Na  Na1  1  0.535  0.065  0.210  1.0
  Na  Na2  1  0.965  0.065  0.710  1.0
  Na  Na3  1  0.465  0.935  0.790  1.0
  Na  Na4  1  0.999  0.727  0.111  1.0
  Na  Na5  1  0.499  0.273  0.389  1.0
  Na  Na6  1  0.001  0.273  0.889  1.0
  Na  Na7  1  0.501  0.727  0.611  1.0
  Na  Na8  1  0.999  0.309  0.397  1.0
  Na  Na9  1  0.499  0.691  0.103  1.0
  Na  Na10  1  0.001  0.691  0.603  1.0
  Na  Na11  1  0.501  0.309  0.897  1.0
  Ga  Ga12  1  0.857  0.668  0.918  1.0
  Ga  Ga13  1  0.143  0.332  0.082  1.0
  Ga  Ga14  1  0.643  0.668  0.418  1.0
  Ga  Ga15  1  0.357  0.332  0.582  1.0
  S  S16  1  0.243  0.049  0.573  1.0
  S  S17  1  0.257  0.049  0.073  1.0
  S  S18  1  0.743  0.951  0.927  1.0
  S  S19  1  0.757  0.951  0.427  1.0
  S  S20  1  0.804  0.352  0.071  1.0
  S  S21  1  0.304  0.648  0.429  1.0
  S  S22  1  0.196  0.648  0.929  1.0
  S  S23  1  0.696  0.352  0.571  1.0
  S  S24  1  0.245  0.343  0.227  1.0
  S  S25  1  0.745  0.657  0.273  1.0
  S  S26  1  0.755  0.657  0.773  1.0
  S  S27  1  0.255  0.343  0.727  1.0
[/CIF]
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The crystal structure described by Na3GaS3 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one Ga(1), one S(2), two equivalent S(1), and two equivalent S(3) atoms. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent S(3) atoms. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent S(3) atoms. Ga(1) is bonded to one Na(1), one S(1), one S(3), and two equivalent S(2) atoms to form distorted edge-sharing GaNaS4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 7-coordinate geometry to two equivalent Na(1), two equivalent Na(2), two equivalent Na(3), and one Ga(1) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Na(1) and two equivalent Ga(1) atoms. In the third S site, S(3) is bonded in a 7-coordinate geometry to two equivalent Na(1), two equivalent Na(2), two equivalent Na(3), and one Ga(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3GaS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.894
_cell_length_b   7.152
_cell_length_c   14.450
_cell_angle_alpha   60.981
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   623.043
_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
  Na  Na0  1  0.035  0.935  0.290  1.0
  Na  Na1  1  0.535  0.065  0.210  1.0
  Na  Na2  1  0.965  0.065  0.710  1.0
  Na  Na3  1  0.465  0.935  0.790  1.0
  Na  Na4  1  0.999  0.727  0.111  1.0
  Na  Na5  1  0.499  0.273  0.389  1.0
  Na  Na6  1  0.001  0.273  0.889  1.0
  Na  Na7  1  0.501  0.727  0.611  1.0
  Na  Na8  1  0.999  0.309  0.397  1.0
  Na  Na9  1  0.499  0.691  0.103  1.0
  Na  Na10  1  0.001  0.691  0.603  1.0
  Na  Na11  1  0.501  0.309  0.897  1.0
  Ga  Ga12  1  0.857  0.668  0.918  1.0
  Ga  Ga13  1  0.143  0.332  0.082  1.0
  Ga  Ga14  1  0.643  0.668  0.418  1.0
  Ga  Ga15  1  0.357  0.332  0.582  1.0
  S  S16  1  0.243  0.049  0.573  1.0
  S  S17  1  0.257  0.049  0.073  1.0
  S  S18  1  0.743  0.951  0.927  1.0
  S  S19  1  0.757  0.951  0.427  1.0
  S  S20  1  0.804  0.352  0.071  1.0
  S  S21  1  0.304  0.648  0.429  1.0
  S  S22  1  0.196  0.648  0.929  1.0
  S  S23  1  0.696  0.352  0.571  1.0
  S  S24  1  0.245  0.343  0.227  1.0
  S  S25  1  0.745  0.657  0.273  1.0
  S  S26  1  0.755  0.657  0.773  1.0
  S  S27  1  0.255  0.343  0.727  1.0
[/CIF]
.