The structure described by Na6N4S crystallizes in the tetragonal P4_2/nmc space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted bent 150 degrees geometry to two equivalent N(1) atoms. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. N(1) is bonded in a 6-coordinate geometry to one Na(1), four equivalent Na(2), and one S(1) atom. S(1) is bonded in a tetrahedral geometry to four equivalent N(1) atoms. is represented by the CIF card [CIF]
data_Na6SN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.143
_cell_length_b   7.143
_cell_length_c   5.841
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   297.972
_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
  Na  Na0  1  0.000  0.500  0.698  1.0
  Na  Na1  1  0.500  0.000  0.802  1.0
  Na  Na2  1  0.500  0.000  0.302  1.0
  Na  Na3  1  0.000  0.500  0.198  1.0
  Na  Na4  1  0.205  0.205  0.500  1.0
  Na  Na5  1  0.795  0.795  0.500  1.0
  Na  Na6  1  0.705  0.705  0.000  1.0
  Na  Na7  1  0.295  0.295  0.000  1.0
  Na  Na8  1  0.795  0.205  0.500  1.0
  Na  Na9  1  0.205  0.795  0.500  1.0
  Na  Na10  1  0.295  0.705  0.000  1.0
  Na  Na11  1  0.705  0.295  0.000  1.0
  S  S12  1  0.500  0.500  0.500  1.0
  S  S13  1  0.000  0.000  0.000  1.0
  N  N14  1  0.309  0.500  0.341  1.0
  N  N15  1  0.691  0.500  0.341  1.0
  N  N16  1  0.809  0.000  0.159  1.0
  N  N17  1  0.191  0.000  0.159  1.0
  N  N18  1  0.500  0.309  0.659  1.0
  N  N19  1  0.500  0.691  0.659  1.0
  N  N20  1  0.000  0.809  0.841  1.0
  N  N21  1  0.000  0.191  0.841  1.0
[/CIF]
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The structure described by Na6N4S crystallizes in the tetragonal P4_2/nmc space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted bent 150 degrees geometry to two equivalent N(1) atoms. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. N(1) is bonded in a 6-coordinate geometry to one Na(1), four equivalent Na(2), and one S(1) atom. S(1) is bonded in a tetrahedral geometry to four equivalent N(1) atoms. is represented by the CIF card [CIF]
data_Na6SN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.143
_cell_length_b   7.143
_cell_length_c   5.841
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   297.972
_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
  Na  Na0  1  0.000  0.500  0.698  1.0
  Na  Na1  1  0.500  0.000  0.802  1.0
  Na  Na2  1  0.500  0.000  0.302  1.0
  Na  Na3  1  0.000  0.500  0.198  1.0
  Na  Na4  1  0.205  0.205  0.500  1.0
  Na  Na5  1  0.795  0.795  0.500  1.0
  Na  Na6  1  0.705  0.705  0.000  1.0
  Na  Na7  1  0.295  0.295  0.000  1.0
  Na  Na8  1  0.795  0.205  0.500  1.0
  Na  Na9  1  0.205  0.795  0.500  1.0
  Na  Na10  1  0.295  0.705  0.000  1.0
  Na  Na11  1  0.705  0.295  0.000  1.0
  S  S12  1  0.500  0.500  0.500  1.0
  S  S13  1  0.000  0.000  0.000  1.0
  N  N14  1  0.309  0.500  0.341  1.0
  N  N15  1  0.691  0.500  0.341  1.0
  N  N16  1  0.809  0.000  0.159  1.0
  N  N17  1  0.191  0.000  0.159  1.0
  N  N18  1  0.500  0.309  0.659  1.0
  N  N19  1  0.500  0.691  0.659  1.0
  N  N20  1  0.000  0.809  0.841  1.0
  N  N21  1  0.000  0.191  0.841  1.0
[/CIF]
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