The structure described by LiFe(SeO3)2 crystallizes in the tetragonal I-42d space group. Li(1) is bonded in a distorted see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. Fe(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Se(1) is bonded in a distorted 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 distorted trigonal non-coplanar geometry to one Li(1), one Fe(1), and one Se(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Li(1), one Fe(1), and one Se(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Fe(1) and one Se(1) atom. is represented by the CIF card [CIF]
data_LiFe(SeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.200
_cell_length_b   9.200
_cell_length_c   9.200
_cell_angle_alpha   107.742
_cell_angle_beta   107.742
_cell_angle_gamma   112.989
_symmetry_Int_Tables_number   1
_cell_volume   597.693
_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  0.125  0.440  0.815  1.0
  Li  Li1  1  0.560  0.375  0.685  1.0
  Li  Li2  1  0.625  0.310  0.185  1.0
  Li  Li3  1  0.690  0.875  0.315  1.0
  Fe  Fe4  1  0.412  0.875  0.037  1.0
  Fe  Fe5  1  0.625  0.588  0.463  1.0
  Fe  Fe6  1  0.125  0.162  0.537  1.0
  Fe  Fe7  1  0.838  0.375  0.963  1.0
  Se  Se8  1  0.933  0.713  0.329  1.0
  Se  Se9  1  0.963  0.683  0.829  1.0
  Se  Se10  1  0.396  0.067  0.780  1.0
  Se  Se11  1  0.866  0.037  0.720  1.0
  Se  Se12  1  0.287  0.616  0.220  1.0
  Se  Se13  1  0.854  0.134  0.171  1.0
  Se  Se14  1  0.384  0.604  0.671  1.0
  Se  Se15  1  0.317  0.146  0.280  1.0
  O  O16  1  0.825  0.461  0.780  1.0
  O  O17  1  0.322  0.164  0.477  1.0
  O  O18  1  0.041  0.249  0.372  1.0
  O  O19  1  0.539  0.318  0.363  1.0
  O  O20  1  0.414  0.072  0.977  1.0
  O  O21  1  0.096  0.437  0.023  1.0
  O  O22  1  0.563  0.586  0.659  1.0
  O  O23  1  0.751  0.123  0.792  1.0
  O  O24  1  0.154  0.678  0.841  1.0
  O  O25  1  0.836  0.313  0.159  1.0
  O  O26  1  0.425  0.705  0.137  1.0
  O  O27  1  0.568  0.289  0.863  1.0
  O  O28  1  0.331  0.959  0.208  1.0
  O  O29  1  0.373  0.501  0.292  1.0
  O  O30  1  0.499  0.791  0.872  1.0
  O  O31  1  0.928  0.904  0.341  1.0
  O  O32  1  0.687  0.846  0.523  1.0
  O  O33  1  0.919  0.627  0.128  1.0
  O  O34  1  0.877  0.669  0.628  1.0
  O  O35  1  0.682  0.045  0.220  1.0
  O  O36  1  0.209  0.081  0.708  1.0
  O  O37  1  0.711  0.575  0.280  1.0
  O  O38  1  0.955  0.175  0.637  1.0
  O  O39  1  0.295  0.432  0.720  1.0
[/CIF]
.
The structure described by LiFe(SeO3)2 crystallizes in the tetragonal I-42d space group. Li(1) is bonded in a distorted see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. Fe(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Se(1) is bonded in a distorted 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 distorted trigonal non-coplanar geometry to one Li(1), one Fe(1), and one Se(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Li(1), one Fe(1), and one Se(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Fe(1) and one Se(1) atom. is represented by the CIF card [CIF]
data_LiFe(SeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.200
_cell_length_b   9.200
_cell_length_c   9.200
_cell_angle_alpha   107.742
_cell_angle_beta   107.742
_cell_angle_gamma   112.989
_symmetry_Int_Tables_number   1
_cell_volume   597.693
_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  0.125  0.440  0.815  1.0
  Li  Li1  1  0.560  0.375  0.685  1.0
  Li  Li2  1  0.625  0.310  0.185  1.0
  Li  Li3  1  0.690  0.875  0.315  1.0
  Fe  Fe4  1  0.412  0.875  0.037  1.0
  Fe  Fe5  1  0.625  0.588  0.463  1.0
  Fe  Fe6  1  0.125  0.162  0.537  1.0
  Fe  Fe7  1  0.838  0.375  0.963  1.0
  Se  Se8  1  0.933  0.713  0.329  1.0
  Se  Se9  1  0.963  0.683  0.829  1.0
  Se  Se10  1  0.396  0.067  0.780  1.0
  Se  Se11  1  0.866  0.037  0.720  1.0
  Se  Se12  1  0.287  0.616  0.220  1.0
  Se  Se13  1  0.854  0.134  0.171  1.0
  Se  Se14  1  0.384  0.604  0.671  1.0
  Se  Se15  1  0.317  0.146  0.280  1.0
  O  O16  1  0.825  0.461  0.780  1.0
  O  O17  1  0.322  0.164  0.477  1.0
  O  O18  1  0.041  0.249  0.372  1.0
  O  O19  1  0.539  0.318  0.363  1.0
  O  O20  1  0.414  0.072  0.977  1.0
  O  O21  1  0.096  0.437  0.023  1.0
  O  O22  1  0.563  0.586  0.659  1.0
  O  O23  1  0.751  0.123  0.792  1.0
  O  O24  1  0.154  0.678  0.841  1.0
  O  O25  1  0.836  0.313  0.159  1.0
  O  O26  1  0.425  0.705  0.137  1.0
  O  O27  1  0.568  0.289  0.863  1.0
  O  O28  1  0.331  0.959  0.208  1.0
  O  O29  1  0.373  0.501  0.292  1.0
  O  O30  1  0.499  0.791  0.872  1.0
  O  O31  1  0.928  0.904  0.341  1.0
  O  O32  1  0.687  0.846  0.523  1.0
  O  O33  1  0.919  0.627  0.128  1.0
  O  O34  1  0.877  0.669  0.628  1.0
  O  O35  1  0.682  0.045  0.220  1.0
  O  O36  1  0.209  0.081  0.708  1.0
  O  O37  1  0.711  0.575  0.280  1.0
  O  O38  1  0.955  0.175  0.637  1.0
  O  O39  1  0.295  0.432  0.720  1.0
[/CIF]
.