The crystal structure described by BaSO3 is Potassium chlorate structured and crystallizes in the monoclinic P2_1/m space group. Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. S(1) is bonded in a trigonal non-coplanar geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one S(1) atom. is represented by the CIF card [CIF]
data_BaSO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.573
_cell_length_b   4.717
_cell_length_c   6.798
_cell_angle_alpha   73.213
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   171.062
_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  0.250  0.655  0.726  1.0
  Ba  Ba1  1  0.750  0.345  0.274  1.0
  S  S2  1  0.250  0.927  0.176  1.0
  S  S3  1  0.750  0.073  0.824  1.0
  O  O4  1  0.750  0.731  0.871  1.0
  O  O5  1  0.469  0.823  0.319  1.0
  O  O6  1  0.031  0.823  0.319  1.0
  O  O7  1  0.969  0.177  0.681  1.0
  O  O8  1  0.531  0.177  0.681  1.0
  O  O9  1  0.250  0.269  0.129  1.0
[/CIF]
.
The crystal structure described by BaSO3 is Potassium chlorate structured and crystallizes in the monoclinic P2_1/m space group. Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. S(1) is bonded in a trigonal non-coplanar geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one S(1) atom. is represented by the CIF card [CIF]
data_BaSO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.573
_cell_length_b   4.717
_cell_length_c   6.798
_cell_angle_alpha   73.213
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   171.062
_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  0.250  0.655  0.726  1.0
  Ba  Ba1  1  0.750  0.345  0.274  1.0
  S  S2  1  0.250  0.927  0.176  1.0
  S  S3  1  0.750  0.073  0.824  1.0
  O  O4  1  0.750  0.731  0.871  1.0
  O  O5  1  0.469  0.823  0.319  1.0
  O  O6  1  0.031  0.823  0.319  1.0
  O  O7  1  0.969  0.177  0.681  1.0
  O  O8  1  0.531  0.177  0.681  1.0
  O  O9  1  0.250  0.269  0.129  1.0
[/CIF]
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