The structure described by Na2Si2S5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one S(4), one S(5), 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(3) and two equivalent S(4) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one S(4), one S(5), and two equivalent S(1) atoms to form corner-sharing SiS4 tetrahedra. In the second Si site, Si(2) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form corner-sharing SiS4 tetrahedra. There are five inequivalent S sites. In the first S site, S(1) is bonded in a distorted water-like geometry to one Na(1), one Si(1), and one Si(2) atom. In the second S site, S(2) is bonded in a water-like geometry to two equivalent Si(2) atoms. In the third S site, S(3) is bonded to two equivalent Na(1), two equivalent Na(2), and one Si(2) atom to form distorted SNa4Si square pyramids that share corners with six equivalent S(4)Na3Si tetrahedra and edges with two equivalent S(3)Na4Si square pyramids. In the fourth S site, S(4) is bonded to one Na(1), two equivalent Na(2), and one Si(1) atom to form distorted SNa3Si tetrahedra that share corners with six equivalent S(3)Na4Si square pyramids and corners with two equivalent S(4)Na3Si tetrahedra. In the fifth S site, S(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1) and two equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_Na2Si2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.995
_cell_length_b   8.995
_cell_length_c   10.412
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.966
_symmetry_Int_Tables_number   1
_cell_volume   842.467
_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  0.904  0.420  0.250  1.0
  Na  Na1  1  0.848  0.848  0.000  1.0
  Na  Na2  1  0.848  0.848  0.500  1.0
  Na  Na3  1  0.152  0.152  0.000  1.0
  Na  Na4  1  0.580  0.096  0.250  1.0
  Na  Na5  1  0.420  0.904  0.750  1.0
  Na  Na6  1  0.096  0.580  0.750  1.0
  Na  Na7  1  0.152  0.152  0.500  1.0
  Si  Si8  1  0.689  0.582  0.750  1.0
  Si  Si9  1  0.418  0.311  0.750  1.0
  Si  Si10  1  0.582  0.689  0.250  1.0
  Si  Si11  1  0.253  0.747  0.084  1.0
  Si  Si12  1  0.747  0.253  0.584  1.0
  Si  Si13  1  0.747  0.253  0.916  1.0
  Si  Si14  1  0.311  0.418  0.250  1.0
  Si  Si15  1  0.253  0.747  0.416  1.0
  S  S16  1  0.488  0.791  0.082  1.0
  S  S17  1  0.791  0.488  0.918  1.0
  S  S18  1  0.209  0.512  0.418  1.0
  S  S19  1  0.846  0.154  0.750  1.0
  S  S20  1  0.159  0.841  0.577  1.0
  S  S21  1  0.841  0.159  0.077  1.0
  S  S22  1  0.841  0.159  0.423  1.0
  S  S23  1  0.159  0.841  0.923  1.0
  S  S24  1  0.806  0.728  0.250  1.0
  S  S25  1  0.194  0.272  0.750  1.0
  S  S26  1  0.728  0.806  0.750  1.0
  S  S27  1  0.272  0.194  0.250  1.0
  S  S28  1  0.512  0.209  0.582  1.0
  S  S29  1  0.209  0.512  0.082  1.0
  S  S30  1  0.791  0.488  0.582  1.0
  S  S31  1  0.512  0.209  0.918  1.0
  S  S32  1  0.488  0.791  0.418  1.0
  S  S33  1  0.454  0.546  0.750  1.0
  S  S34  1  0.546  0.454  0.250  1.0
  S  S35  1  0.154  0.846  0.250  1.0
[/CIF]
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The structure described by Na2Si2S5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one S(4), one S(5), 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(3) and two equivalent S(4) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one S(4), one S(5), and two equivalent S(1) atoms to form corner-sharing SiS4 tetrahedra. In the second Si site, Si(2) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form corner-sharing SiS4 tetrahedra. There are five inequivalent S sites. In the first S site, S(1) is bonded in a distorted water-like geometry to one Na(1), one Si(1), and one Si(2) atom. In the second S site, S(2) is bonded in a water-like geometry to two equivalent Si(2) atoms. In the third S site, S(3) is bonded to two equivalent Na(1), two equivalent Na(2), and one Si(2) atom to form distorted SNa4Si square pyramids that share corners with six equivalent S(4)Na3Si tetrahedra and edges with two equivalent S(3)Na4Si square pyramids. In the fourth S site, S(4) is bonded to one Na(1), two equivalent Na(2), and one Si(1) atom to form distorted SNa3Si tetrahedra that share corners with six equivalent S(3)Na4Si square pyramids and corners with two equivalent S(4)Na3Si tetrahedra. In the fifth S site, S(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1) and two equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_Na2Si2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.995
_cell_length_b   8.995
_cell_length_c   10.412
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.966
_symmetry_Int_Tables_number   1
_cell_volume   842.467
_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  0.904  0.420  0.250  1.0
  Na  Na1  1  0.848  0.848  0.000  1.0
  Na  Na2  1  0.848  0.848  0.500  1.0
  Na  Na3  1  0.152  0.152  0.000  1.0
  Na  Na4  1  0.580  0.096  0.250  1.0
  Na  Na5  1  0.420  0.904  0.750  1.0
  Na  Na6  1  0.096  0.580  0.750  1.0
  Na  Na7  1  0.152  0.152  0.500  1.0
  Si  Si8  1  0.689  0.582  0.750  1.0
  Si  Si9  1  0.418  0.311  0.750  1.0
  Si  Si10  1  0.582  0.689  0.250  1.0
  Si  Si11  1  0.253  0.747  0.084  1.0
  Si  Si12  1  0.747  0.253  0.584  1.0
  Si  Si13  1  0.747  0.253  0.916  1.0
  Si  Si14  1  0.311  0.418  0.250  1.0
  Si  Si15  1  0.253  0.747  0.416  1.0
  S  S16  1  0.488  0.791  0.082  1.0
  S  S17  1  0.791  0.488  0.918  1.0
  S  S18  1  0.209  0.512  0.418  1.0
  S  S19  1  0.846  0.154  0.750  1.0
  S  S20  1  0.159  0.841  0.577  1.0
  S  S21  1  0.841  0.159  0.077  1.0
  S  S22  1  0.841  0.159  0.423  1.0
  S  S23  1  0.159  0.841  0.923  1.0
  S  S24  1  0.806  0.728  0.250  1.0
  S  S25  1  0.194  0.272  0.750  1.0
  S  S26  1  0.728  0.806  0.750  1.0
  S  S27  1  0.272  0.194  0.250  1.0
  S  S28  1  0.512  0.209  0.582  1.0
  S  S29  1  0.209  0.512  0.082  1.0
  S  S30  1  0.791  0.488  0.582  1.0
  S  S31  1  0.512  0.209  0.918  1.0
  S  S32  1  0.488  0.791  0.418  1.0
  S  S33  1  0.454  0.546  0.750  1.0
  S  S34  1  0.546  0.454  0.250  1.0
  S  S35  1  0.154  0.846  0.250  1.0
[/CIF]
.