The compound described by LiSeO3 crystallizes in the orthorhombic P2_12_12_1 space group. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing LiO4 tetrahedra. Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Se(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Li(1) and one Se(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Li(1) and one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.417
_cell_length_b   5.437
_cell_length_c   11.534
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   339.692
_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
  Li  Li0  1  0.199  0.265  0.586  1.0
  Li  Li1  1  0.301  0.735  0.086  1.0
  Li  Li2  1  0.699  0.235  0.414  1.0
  Li  Li3  1  0.801  0.765  0.914  1.0
  Se  Se4  1  0.211  0.910  0.358  1.0
  Se  Se5  1  0.289  0.090  0.858  1.0
  Se  Se6  1  0.711  0.590  0.642  1.0
  Se  Se7  1  0.789  0.410  0.142  1.0
  O  O8  1  0.145  0.881  0.945  1.0
  O  O9  1  0.355  0.119  0.445  1.0
  O  O10  1  0.645  0.619  0.055  1.0
  O  O11  1  0.855  0.381  0.555  1.0
  O  O12  1  0.905  0.948  0.372  1.0
  O  O13  1  0.595  0.052  0.872  1.0
  O  O14  1  0.405  0.552  0.628  1.0
  O  O15  1  0.095  0.448  0.128  1.0
  O  O16  1  0.198  0.044  0.720  1.0
  O  O17  1  0.302  0.956  0.220  1.0
  O  O18  1  0.698  0.456  0.280  1.0
  O  O19  1  0.802  0.544  0.780  1.0
[/CIF]
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The compound described by LiSeO3 crystallizes in the orthorhombic P2_12_12_1 space group. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing LiO4 tetrahedra. Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Se(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Li(1) and one Se(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Li(1) and one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.417
_cell_length_b   5.437
_cell_length_c   11.534
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   339.692
_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
  Li  Li0  1  0.199  0.265  0.586  1.0
  Li  Li1  1  0.301  0.735  0.086  1.0
  Li  Li2  1  0.699  0.235  0.414  1.0
  Li  Li3  1  0.801  0.765  0.914  1.0
  Se  Se4  1  0.211  0.910  0.358  1.0
  Se  Se5  1  0.289  0.090  0.858  1.0
  Se  Se6  1  0.711  0.590  0.642  1.0
  Se  Se7  1  0.789  0.410  0.142  1.0
  O  O8  1  0.145  0.881  0.945  1.0
  O  O9  1  0.355  0.119  0.445  1.0
  O  O10  1  0.645  0.619  0.055  1.0
  O  O11  1  0.855  0.381  0.555  1.0
  O  O12  1  0.905  0.948  0.372  1.0
  O  O13  1  0.595  0.052  0.872  1.0
  O  O14  1  0.405  0.552  0.628  1.0
  O  O15  1  0.095  0.448  0.128  1.0
  O  O16  1  0.198  0.044  0.720  1.0
  O  O17  1  0.302  0.956  0.220  1.0
  O  O18  1  0.698  0.456  0.280  1.0
  O  O19  1  0.802  0.544  0.780  1.0
[/CIF]
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