The crystal structure described by Na3AsS3 crystallizes in the cubic P2_13 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to six equivalent S(1) atoms to form distorted corner-sharing NaS6 octahedra. The corner-sharing octahedral tilt angles are 60°. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. As(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent S(1) atoms. S(1) is bonded to two equivalent Na(1), two equivalent Na(2), two equivalent Na(3), and one As(1) atom to form a mixture of distorted edge, face, and corner-sharing SNa6As pentagonal bipyramids. is represented by the CIF file [CIF]
data_Na3AsS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.515
_cell_length_b   8.515
_cell_length_c   8.515
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   617.453
_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  0.581  0.581  0.581  1.0
  Na  Na1  1  0.919  0.419  0.081  1.0
  Na  Na2  1  0.081  0.919  0.419  1.0
  Na  Na3  1  0.419  0.081  0.919  1.0
  Na  Na4  1  0.317  0.317  0.317  1.0
  Na  Na5  1  0.183  0.683  0.817  1.0
  Na  Na6  1  0.817  0.183  0.683  1.0
  Na  Na7  1  0.683  0.817  0.183  1.0
  Na  Na8  1  0.811  0.811  0.811  1.0
  Na  Na9  1  0.689  0.189  0.311  1.0
  Na  Na10  1  0.311  0.689  0.189  1.0
  Na  Na11  1  0.189  0.311  0.689  1.0
  As  As12  1  0.972  0.528  0.472  1.0
  As  As13  1  0.472  0.972  0.528  1.0
  As  As14  1  0.028  0.028  0.028  1.0
  As  As15  1  0.528  0.472  0.972  1.0
  S  S16  1  0.775  0.105  0.001  1.0
  S  S17  1  0.725  0.895  0.501  1.0
  S  S18  1  0.275  0.395  0.999  1.0
  S  S19  1  0.105  0.001  0.775  1.0
  S  S20  1  0.225  0.605  0.499  1.0
  S  S21  1  0.499  0.225  0.605  1.0
  S  S22  1  0.605  0.499  0.225  1.0
  S  S23  1  0.895  0.501  0.725  1.0
  S  S24  1  0.999  0.275  0.395  1.0
  S  S25  1  0.395  0.999  0.275  1.0
  S  S26  1  0.001  0.775  0.105  1.0
  S  S27  1  0.501  0.725  0.895  1.0
[/CIF]
.
The crystal structure described by Na3AsS3 crystallizes in the cubic P2_13 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to six equivalent S(1) atoms to form distorted corner-sharing NaS6 octahedra. The corner-sharing octahedral tilt angles are 60°. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. As(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent S(1) atoms. S(1) is bonded to two equivalent Na(1), two equivalent Na(2), two equivalent Na(3), and one As(1) atom to form a mixture of distorted edge, face, and corner-sharing SNa6As pentagonal bipyramids. is represented by the CIF file [CIF]
data_Na3AsS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.515
_cell_length_b   8.515
_cell_length_c   8.515
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   617.453
_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  0.581  0.581  0.581  1.0
  Na  Na1  1  0.919  0.419  0.081  1.0
  Na  Na2  1  0.081  0.919  0.419  1.0
  Na  Na3  1  0.419  0.081  0.919  1.0
  Na  Na4  1  0.317  0.317  0.317  1.0
  Na  Na5  1  0.183  0.683  0.817  1.0
  Na  Na6  1  0.817  0.183  0.683  1.0
  Na  Na7  1  0.683  0.817  0.183  1.0
  Na  Na8  1  0.811  0.811  0.811  1.0
  Na  Na9  1  0.689  0.189  0.311  1.0
  Na  Na10  1  0.311  0.689  0.189  1.0
  Na  Na11  1  0.189  0.311  0.689  1.0
  As  As12  1  0.972  0.528  0.472  1.0
  As  As13  1  0.472  0.972  0.528  1.0
  As  As14  1  0.028  0.028  0.028  1.0
  As  As15  1  0.528  0.472  0.972  1.0
  S  S16  1  0.775  0.105  0.001  1.0
  S  S17  1  0.725  0.895  0.501  1.0
  S  S18  1  0.275  0.395  0.999  1.0
  S  S19  1  0.105  0.001  0.775  1.0
  S  S20  1  0.225  0.605  0.499  1.0
  S  S21  1  0.499  0.225  0.605  1.0
  S  S22  1  0.605  0.499  0.225  1.0
  S  S23  1  0.895  0.501  0.725  1.0
  S  S24  1  0.999  0.275  0.395  1.0
  S  S25  1  0.395  0.999  0.275  1.0
  S  S26  1  0.001  0.775  0.105  1.0
  S  S27  1  0.501  0.725  0.895  1.0
[/CIF]
.