The material described by Ba(SeO3)2 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 10-coordinate geometry to one O(1), one O(3), one O(6), two equivalent O(2), two equivalent O(4), and three equivalent O(5) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a water-like geometry to one O(5) and one O(6) atom. In the second Se site, Se(2) is bonded in a distorted single-bond geometry to one O(2) and one O(3) atom. There are six 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(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Se(2), and one O(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), one Se(2), and one O(4) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Ba(1) and one O(3) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to three equivalent Ba(1) and one Se(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Ba(1) and one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba(SeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.728
_cell_length_b   7.399
_cell_length_c   9.088
_cell_angle_alpha   72.492
_cell_angle_beta   85.406
_cell_angle_gamma   84.354
_symmetry_Int_Tables_number   1
_cell_volume   301.300
_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  0.838  0.945  0.802  1.0
  Ba  Ba1  1  0.162  0.055  0.198  1.0
  Se  Se2  1  0.381  0.569  0.118  1.0
  Se  Se3  1  0.619  0.431  0.882  1.0
  Se  Se4  1  0.209  0.510  0.566  1.0
  Se  Se5  1  0.791  0.490  0.434  1.0
  O  O6  1  0.462  0.816  0.636  1.0
  O  O7  1  0.538  0.184  0.364  1.0
  O  O8  1  0.255  0.856  0.540  1.0
  O  O9  1  0.745  0.144  0.460  1.0
  O  O10  1  0.198  0.239  0.655  1.0
  O  O11  1  0.802  0.761  0.345  1.0
  O  O12  1  0.326  0.168  0.798  1.0
  O  O13  1  0.674  0.832  0.202  1.0
  O  O14  1  0.270  0.792  0.007  1.0
  O  O15  1  0.730  0.208  0.993  1.0
  O  O16  1  0.906  0.560  0.839  1.0
  O  O17  1  0.094  0.440  0.161  1.0
[/CIF]
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The material described by Ba(SeO3)2 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 10-coordinate geometry to one O(1), one O(3), one O(6), two equivalent O(2), two equivalent O(4), and three equivalent O(5) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a water-like geometry to one O(5) and one O(6) atom. In the second Se site, Se(2) is bonded in a distorted single-bond geometry to one O(2) and one O(3) atom. There are six 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(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Se(2), and one O(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), one Se(2), and one O(4) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Ba(1) and one O(3) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to three equivalent Ba(1) and one Se(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Ba(1) and one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba(SeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.728
_cell_length_b   7.399
_cell_length_c   9.088
_cell_angle_alpha   72.492
_cell_angle_beta   85.406
_cell_angle_gamma   84.354
_symmetry_Int_Tables_number   1
_cell_volume   301.300
_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  0.838  0.945  0.802  1.0
  Ba  Ba1  1  0.162  0.055  0.198  1.0
  Se  Se2  1  0.381  0.569  0.118  1.0
  Se  Se3  1  0.619  0.431  0.882  1.0
  Se  Se4  1  0.209  0.510  0.566  1.0
  Se  Se5  1  0.791  0.490  0.434  1.0
  O  O6  1  0.462  0.816  0.636  1.0
  O  O7  1  0.538  0.184  0.364  1.0
  O  O8  1  0.255  0.856  0.540  1.0
  O  O9  1  0.745  0.144  0.460  1.0
  O  O10  1  0.198  0.239  0.655  1.0
  O  O11  1  0.802  0.761  0.345  1.0
  O  O12  1  0.326  0.168  0.798  1.0
  O  O13  1  0.674  0.832  0.202  1.0
  O  O14  1  0.270  0.792  0.007  1.0
  O  O15  1  0.730  0.208  0.993  1.0
  O  O16  1  0.906  0.560  0.839  1.0
  O  O17  1  0.094  0.440  0.161  1.0
[/CIF]
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