The compound described by BaS2(NO3)2 crystallizes in the orthorhombic Pna2_1 space group. Ba(1) is bonded in a 11-coordinate geometry to one N(2), one O(4), one O(5), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a single-bond geometry to one S(1) atom. In the second N site, N(2) is bonded in a single-bond geometry to one Ba(1) and one S(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one N(1), one O(1), one O(2), and one O(3) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to one N(2), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(4) is bonded in a distorted single-bond geometry to one Ba(1) and one S(2) atom. In the second O site, O(5) is bonded in a distorted single-bond geometry to one Ba(1) and one S(2) atom. In the third O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one S(2) atom. In the fourth O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one S(1) atom. In the fifth O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one S(1) atom. In the sixth O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one S(1) atom. is represented by the CIF card [CIF]
data_BaS2(NO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.935
_cell_length_b   10.964
_cell_length_c   13.718
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   742.278
_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
  Ba  Ba0  1  0.016  0.675  0.311  1.0
  Ba  Ba1  1  0.516  0.325  0.689  1.0
  Ba  Ba2  1  0.516  0.825  0.811  1.0
  Ba  Ba3  1  0.016  0.175  0.189  1.0
  S  S4  1  0.453  0.444  0.186  1.0
  S  S5  1  0.953  0.556  0.814  1.0
  S  S6  1  0.953  0.056  0.686  1.0
  S  S7  1  0.453  0.944  0.314  1.0
  S  S8  1  0.566  0.662  0.555  1.0
  S  S9  1  0.066  0.338  0.445  1.0
  S  S10  1  0.066  0.838  0.055  1.0
  S  S11  1  0.566  0.162  0.945  1.0
  N  N12  1  0.597  0.463  0.078  1.0
  N  N13  1  0.097  0.537  0.922  1.0
  N  N14  1  0.097  0.037  0.578  1.0
  N  N15  1  0.597  0.963  0.422  1.0
  N  N16  1  0.894  0.662  0.535  1.0
  N  N17  1  0.394  0.338  0.465  1.0
  N  N18  1  0.394  0.838  0.035  1.0
  N  N19  1  0.894  0.162  0.965  1.0
  O  O20  1  0.572  0.332  0.226  1.0
  O  O21  1  0.072  0.668  0.774  1.0
  O  O22  1  0.072  0.168  0.726  1.0
  O  O23  1  0.572  0.832  0.274  1.0
  O  O24  1  0.160  0.431  0.170  1.0
  O  O25  1  0.660  0.569  0.830  1.0
  O  O26  1  0.660  0.069  0.670  1.0
  O  O27  1  0.160  0.931  0.330  1.0
  O  O28  1  0.519  0.555  0.242  1.0
  O  O29  1  0.019  0.445  0.758  1.0
  O  O30  1  0.019  0.945  0.742  1.0
  O  O31  1  0.519  0.055  0.258  1.0
  O  O32  1  0.514  0.770  0.616  1.0
  O  O33  1  0.014  0.230  0.384  1.0
  O  O34  1  0.014  0.730  0.116  1.0
  O  O35  1  0.514  0.270  0.884  1.0
  O  O36  1  0.497  0.547  0.602  1.0
  O  O37  1  0.997  0.453  0.398  1.0
  O  O38  1  0.997  0.953  0.102  1.0
  O  O39  1  0.497  0.047  0.898  1.0
  O  O40  1  0.465  0.173  0.046  1.0
  O  O41  1  0.965  0.827  0.954  1.0
  O  O42  1  0.965  0.327  0.546  1.0
  O  O43  1  0.465  0.673  0.454  1.0
[/CIF]
.
The compound described by BaS2(NO3)2 crystallizes in the orthorhombic Pna2_1 space group. Ba(1) is bonded in a 11-coordinate geometry to one N(2), one O(4), one O(5), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a single-bond geometry to one S(1) atom. In the second N site, N(2) is bonded in a single-bond geometry to one Ba(1) and one S(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one N(1), one O(1), one O(2), and one O(3) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to one N(2), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(4) is bonded in a distorted single-bond geometry to one Ba(1) and one S(2) atom. In the second O site, O(5) is bonded in a distorted single-bond geometry to one Ba(1) and one S(2) atom. In the third O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one S(2) atom. In the fourth O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one S(1) atom. In the fifth O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one S(1) atom. In the sixth O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one S(1) atom. is represented by the CIF card [CIF]
data_BaS2(NO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.935
_cell_length_b   10.964
_cell_length_c   13.718
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   742.278
_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
  Ba  Ba0  1  0.016  0.675  0.311  1.0
  Ba  Ba1  1  0.516  0.325  0.689  1.0
  Ba  Ba2  1  0.516  0.825  0.811  1.0
  Ba  Ba3  1  0.016  0.175  0.189  1.0
  S  S4  1  0.453  0.444  0.186  1.0
  S  S5  1  0.953  0.556  0.814  1.0
  S  S6  1  0.953  0.056  0.686  1.0
  S  S7  1  0.453  0.944  0.314  1.0
  S  S8  1  0.566  0.662  0.555  1.0
  S  S9  1  0.066  0.338  0.445  1.0
  S  S10  1  0.066  0.838  0.055  1.0
  S  S11  1  0.566  0.162  0.945  1.0
  N  N12  1  0.597  0.463  0.078  1.0
  N  N13  1  0.097  0.537  0.922  1.0
  N  N14  1  0.097  0.037  0.578  1.0
  N  N15  1  0.597  0.963  0.422  1.0
  N  N16  1  0.894  0.662  0.535  1.0
  N  N17  1  0.394  0.338  0.465  1.0
  N  N18  1  0.394  0.838  0.035  1.0
  N  N19  1  0.894  0.162  0.965  1.0
  O  O20  1  0.572  0.332  0.226  1.0
  O  O21  1  0.072  0.668  0.774  1.0
  O  O22  1  0.072  0.168  0.726  1.0
  O  O23  1  0.572  0.832  0.274  1.0
  O  O24  1  0.160  0.431  0.170  1.0
  O  O25  1  0.660  0.569  0.830  1.0
  O  O26  1  0.660  0.069  0.670  1.0
  O  O27  1  0.160  0.931  0.330  1.0
  O  O28  1  0.519  0.555  0.242  1.0
  O  O29  1  0.019  0.445  0.758  1.0
  O  O30  1  0.019  0.945  0.742  1.0
  O  O31  1  0.519  0.055  0.258  1.0
  O  O32  1  0.514  0.770  0.616  1.0
  O  O33  1  0.014  0.230  0.384  1.0
  O  O34  1  0.014  0.730  0.116  1.0
  O  O35  1  0.514  0.270  0.884  1.0
  O  O36  1  0.497  0.547  0.602  1.0
  O  O37  1  0.997  0.453  0.398  1.0
  O  O38  1  0.997  0.953  0.102  1.0
  O  O39  1  0.497  0.047  0.898  1.0
  O  O40  1  0.465  0.173  0.046  1.0
  O  O41  1  0.965  0.827  0.954  1.0
  O  O42  1  0.965  0.327  0.546  1.0
  O  O43  1  0.465  0.673  0.454  1.0
[/CIF]
.