The material described by BaC2S2(NO)2 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent N(1), two equivalent N(2), one S(1), one S(2), one O(1), and one O(2) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted linear geometry to one N(1) and one S(1) atom. In the second C site, C(2) is bonded in a distorted linear geometry to one N(2) and one S(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one C(1) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one C(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one Ba(1) and one C(1) atom. In the second S site, S(2) is bonded in a distorted single-bond geometry to one Ba(1) and one C(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ba(1) and one O(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ba(1) and one O(2) atom. is represented by the CIF card [CIF]
data_BaC2S2(NO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.101
_cell_length_b   7.101
_cell_length_c   12.231
_cell_angle_alpha   83.923
_cell_angle_beta   83.923
_cell_angle_gamma   38.190
_symmetry_Int_Tables_number   1
_cell_volume   378.941
_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
  Ba  Ba0  1  0.875  0.875  0.264  1.0
  Ba  Ba1  1  0.125  0.125  0.736  1.0
  C  C2  1  0.656  0.656  0.497  1.0
  C  C3  1  0.344  0.344  0.503  1.0
  C  C4  1  0.562  0.562  0.130  1.0
  C  C5  1  0.438  0.438  0.870  1.0
  S  S6  1  0.644  0.644  0.367  1.0
  S  S7  1  0.356  0.356  0.633  1.0
  S  S8  1  0.675  0.675  0.069  1.0
  S  S9  1  0.325  0.325  0.931  1.0
  N  N10  1  0.340  0.340  0.406  1.0
  N  N11  1  0.660  0.660  0.594  1.0
  N  N12  1  0.478  0.478  0.173  1.0
  N  N13  1  0.522  0.522  0.827  1.0
  O  O14  1  0.005  0.005  0.448  1.0
  O  O15  1  0.995  0.995  0.552  1.0
  O  O16  1  0.955  0.955  0.021  1.0
  O  O17  1  0.045  0.045  0.979  1.0
[/CIF]
.
The material described by BaC2S2(NO)2 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent N(1), two equivalent N(2), one S(1), one S(2), one O(1), and one O(2) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted linear geometry to one N(1) and one S(1) atom. In the second C site, C(2) is bonded in a distorted linear geometry to one N(2) and one S(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one C(1) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one C(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one Ba(1) and one C(1) atom. In the second S site, S(2) is bonded in a distorted single-bond geometry to one Ba(1) and one C(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ba(1) and one O(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ba(1) and one O(2) atom. is represented by the CIF card [CIF]
data_BaC2S2(NO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.101
_cell_length_b   7.101
_cell_length_c   12.231
_cell_angle_alpha   83.923
_cell_angle_beta   83.923
_cell_angle_gamma   38.190
_symmetry_Int_Tables_number   1
_cell_volume   378.941
_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
  Ba  Ba0  1  0.875  0.875  0.264  1.0
  Ba  Ba1  1  0.125  0.125  0.736  1.0
  C  C2  1  0.656  0.656  0.497  1.0
  C  C3  1  0.344  0.344  0.503  1.0
  C  C4  1  0.562  0.562  0.130  1.0
  C  C5  1  0.438  0.438  0.870  1.0
  S  S6  1  0.644  0.644  0.367  1.0
  S  S7  1  0.356  0.356  0.633  1.0
  S  S8  1  0.675  0.675  0.069  1.0
  S  S9  1  0.325  0.325  0.931  1.0
  N  N10  1  0.340  0.340  0.406  1.0
  N  N11  1  0.660  0.660  0.594  1.0
  N  N12  1  0.478  0.478  0.173  1.0
  N  N13  1  0.522  0.522  0.827  1.0
  O  O14  1  0.005  0.005  0.448  1.0
  O  O15  1  0.995  0.995  0.552  1.0
  O  O16  1  0.955  0.955  0.021  1.0
  O  O17  1  0.045  0.045  0.979  1.0
[/CIF]
.