The compound described by Na3BS3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to two equivalent S(2) and four equivalent S(1) atoms. In the second Na site, Na(2) is bonded to two equivalent B(1), two equivalent S(2), and four equivalent S(1) atoms to form a mixture of distorted edge and corner-sharing NaB2S6 hexagonal bipyramids. B(1) is bonded in a trigonal planar geometry to two equivalent Na(2), one S(2), and two equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 7-coordinate geometry to two equivalent Na(2), four equivalent Na(1), and one B(1) atom. In the second S site, S(2) is bonded in a 7-coordinate geometry to two equivalent Na(2), four equivalent Na(1), and one B(1) atom. is represented by the CIF file [CIF]
data_Na3BS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.608
_cell_length_b   6.733
_cell_length_c   8.309
_cell_angle_alpha   66.372
_cell_angle_beta   66.570
_cell_angle_gamma   60.609
_symmetry_Int_Tables_number   1
_cell_volume   285.607
_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  0.187  0.190  0.004  1.0
  Na  Na1  1  0.619  0.690  0.504  1.0
  Na  Na2  1  0.500  0.500  0.000  1.0
  Na  Na3  1  0.000  0.000  0.500  1.0
  Na  Na4  1  0.813  0.810  0.996  1.0
  Na  Na5  1  0.381  0.310  0.496  1.0
  B  B6  1  0.922  0.250  0.750  1.0
  B  B7  1  0.078  0.750  0.250  1.0
  S  S8  1  0.805  0.021  0.251  1.0
  S  S9  1  0.077  0.479  0.249  1.0
  S  S10  1  0.195  0.979  0.749  1.0
  S  S11  1  0.923  0.521  0.751  1.0
  S  S12  1  0.359  0.750  0.250  1.0
  S  S13  1  0.641  0.250  0.750  1.0
[/CIF]
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The compound described by Na3BS3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to two equivalent S(2) and four equivalent S(1) atoms. In the second Na site, Na(2) is bonded to two equivalent B(1), two equivalent S(2), and four equivalent S(1) atoms to form a mixture of distorted edge and corner-sharing NaB2S6 hexagonal bipyramids. B(1) is bonded in a trigonal planar geometry to two equivalent Na(2), one S(2), and two equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 7-coordinate geometry to two equivalent Na(2), four equivalent Na(1), and one B(1) atom. In the second S site, S(2) is bonded in a 7-coordinate geometry to two equivalent Na(2), four equivalent Na(1), and one B(1) atom. is represented by the CIF file [CIF]
data_Na3BS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.608
_cell_length_b   6.733
_cell_length_c   8.309
_cell_angle_alpha   66.372
_cell_angle_beta   66.570
_cell_angle_gamma   60.609
_symmetry_Int_Tables_number   1
_cell_volume   285.607
_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  0.187  0.190  0.004  1.0
  Na  Na1  1  0.619  0.690  0.504  1.0
  Na  Na2  1  0.500  0.500  0.000  1.0
  Na  Na3  1  0.000  0.000  0.500  1.0
  Na  Na4  1  0.813  0.810  0.996  1.0
  Na  Na5  1  0.381  0.310  0.496  1.0
  B  B6  1  0.922  0.250  0.750  1.0
  B  B7  1  0.078  0.750  0.250  1.0
  S  S8  1  0.805  0.021  0.251  1.0
  S  S9  1  0.077  0.479  0.249  1.0
  S  S10  1  0.195  0.979  0.749  1.0
  S  S11  1  0.923  0.521  0.751  1.0
  S  S12  1  0.359  0.750  0.250  1.0
  S  S13  1  0.641  0.250  0.750  1.0
[/CIF]
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