The compound described by Na2B2S5 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded to one S(3), two equivalent S(1), and two equivalent S(2) atoms to form a mixture of distorted edge, corner, and face-sharing NaS5 trigonal bipyramids. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one S(2), one S(3), and one S(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one S(1), one S(3), and one S(4) atom. There are five inequivalent S sites. In the first S site, S(5) is bonded in a distorted single-bond geometry to one B(1) atom. In the second S site, S(1) is bonded in a 5-coordinate geometry to four equivalent Na(1) and one B(2) atom. In the third S site, S(2) is bonded in a 5-coordinate geometry to four equivalent Na(1) and one B(1) atom. In the fourth S site, S(3) is bonded in a distorted water-like geometry to two equivalent Na(1), one B(1), and one B(2) atom. In the fifth S site, S(4) is bonded in a distorted single-bond geometry to one B(2) atom. is represented by the CIF file [CIF]
data_Na2B2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.424
_cell_length_b   8.300
_cell_length_c   12.503
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   770.462
_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  0.496  0.003  0.166  1.0
  Na  Na1  1  0.996  0.997  0.834  1.0
  Na  Na2  1  0.504  0.503  0.334  1.0
  Na  Na3  1  0.004  0.497  0.666  1.0
  Na  Na4  1  0.504  0.997  0.834  1.0
  Na  Na5  1  0.004  0.003  0.166  1.0
  Na  Na6  1  0.496  0.497  0.666  1.0
  Na  Na7  1  0.996  0.503  0.334  1.0
  B  B8  1  0.250  0.595  0.122  1.0
  B  B9  1  0.750  0.405  0.878  1.0
  B  B10  1  0.750  0.095  0.378  1.0
  B  B11  1  0.250  0.905  0.622  1.0
  B  B12  1  0.250  0.292  0.014  1.0
  B  B13  1  0.750  0.708  0.986  1.0
  B  B14  1  0.750  0.792  0.486  1.0
  B  B15  1  0.250  0.208  0.514  1.0
  S  S16  1  0.250  0.419  0.493  1.0
  S  S17  1  0.750  0.581  0.507  1.0
  S  S18  1  0.750  0.919  0.007  1.0
  S  S19  1  0.250  0.081  0.993  1.0
  S  S20  1  0.250  0.737  0.228  1.0
  S  S21  1  0.750  0.263  0.772  1.0
  S  S22  1  0.750  0.237  0.272  1.0
  S  S23  1  0.250  0.763  0.728  1.0
  S  S24  1  0.250  0.378  0.149  1.0
  S  S25  1  0.750  0.622  0.851  1.0
  S  S26  1  0.750  0.878  0.351  1.0
  S  S27  1  0.250  0.122  0.649  1.0
  S  S28  1  0.250  0.435  0.905  1.0
  S  S29  1  0.750  0.565  0.095  1.0
  S  S30  1  0.750  0.935  0.595  1.0
  S  S31  1  0.250  0.065  0.405  1.0
  S  S32  1  0.250  0.656  0.984  1.0
  S  S33  1  0.750  0.344  0.016  1.0
  S  S34  1  0.750  0.156  0.516  1.0
  S  S35  1  0.250  0.844  0.484  1.0
[/CIF]
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The compound described by Na2B2S5 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded to one S(3), two equivalent S(1), and two equivalent S(2) atoms to form a mixture of distorted edge, corner, and face-sharing NaS5 trigonal bipyramids. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one S(2), one S(3), and one S(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one S(1), one S(3), and one S(4) atom. There are five inequivalent S sites. In the first S site, S(5) is bonded in a distorted single-bond geometry to one B(1) atom. In the second S site, S(1) is bonded in a 5-coordinate geometry to four equivalent Na(1) and one B(2) atom. In the third S site, S(2) is bonded in a 5-coordinate geometry to four equivalent Na(1) and one B(1) atom. In the fourth S site, S(3) is bonded in a distorted water-like geometry to two equivalent Na(1), one B(1), and one B(2) atom. In the fifth S site, S(4) is bonded in a distorted single-bond geometry to one B(2) atom. is represented by the CIF file [CIF]
data_Na2B2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.424
_cell_length_b   8.300
_cell_length_c   12.503
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   770.462
_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  0.496  0.003  0.166  1.0
  Na  Na1  1  0.996  0.997  0.834  1.0
  Na  Na2  1  0.504  0.503  0.334  1.0
  Na  Na3  1  0.004  0.497  0.666  1.0
  Na  Na4  1  0.504  0.997  0.834  1.0
  Na  Na5  1  0.004  0.003  0.166  1.0
  Na  Na6  1  0.496  0.497  0.666  1.0
  Na  Na7  1  0.996  0.503  0.334  1.0
  B  B8  1  0.250  0.595  0.122  1.0
  B  B9  1  0.750  0.405  0.878  1.0
  B  B10  1  0.750  0.095  0.378  1.0
  B  B11  1  0.250  0.905  0.622  1.0
  B  B12  1  0.250  0.292  0.014  1.0
  B  B13  1  0.750  0.708  0.986  1.0
  B  B14  1  0.750  0.792  0.486  1.0
  B  B15  1  0.250  0.208  0.514  1.0
  S  S16  1  0.250  0.419  0.493  1.0
  S  S17  1  0.750  0.581  0.507  1.0
  S  S18  1  0.750  0.919  0.007  1.0
  S  S19  1  0.250  0.081  0.993  1.0
  S  S20  1  0.250  0.737  0.228  1.0
  S  S21  1  0.750  0.263  0.772  1.0
  S  S22  1  0.750  0.237  0.272  1.0
  S  S23  1  0.250  0.763  0.728  1.0
  S  S24  1  0.250  0.378  0.149  1.0
  S  S25  1  0.750  0.622  0.851  1.0
  S  S26  1  0.750  0.878  0.351  1.0
  S  S27  1  0.250  0.122  0.649  1.0
  S  S28  1  0.250  0.435  0.905  1.0
  S  S29  1  0.750  0.565  0.095  1.0
  S  S30  1  0.750  0.935  0.595  1.0
  S  S31  1  0.250  0.065  0.405  1.0
  S  S32  1  0.250  0.656  0.984  1.0
  S  S33  1  0.750  0.344  0.016  1.0
  S  S34  1  0.750  0.156  0.516  1.0
  S  S35  1  0.250  0.844  0.484  1.0
[/CIF]
.