The material structure described by Li2SeO4 crystallizes in the triclinic P1 space group. There are twelve inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(13), one O(14), and one O(5) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Se(2)O4 tetrahedra,  a cornercorner with one Se(3)O4 tetrahedra,  a cornercorner with one Se(5)O4 tetrahedra,  a cornercorner with one Li(9)O4 trigonal pyramid, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Se(1)O4 tetrahedra,  a cornercorner with one Se(3)O4 tetrahedra,  a cornercorner with one Se(5)O4 tetrahedra,  a cornercorner with one Li(5)O4 trigonal pyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the third Li site, Li(3) is bonded in a trigonal planar geometry to one O(10), one O(4), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(14), one O(18), and one O(2) atom. In the fifth Li site, Li(5) is bonded to one O(20), one O(22), one O(6), and one O(7) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Se(2)O4 tetrahedra,  a cornercorner with one Se(3)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. In the sixth Li site, Li(6) is bonded in a 5-coordinate geometry to one O(13), one O(15), one O(20), one O(7), and one O(8) atom. In the seventh Li site, Li(7) is bonded in a distorted trigonal planar geometry to one O(12), one O(22), and one O(24) atom. In the eighth Li site, Li(8) is bonded to one O(17), one O(21), one O(23), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one Se(1)O4 tetrahedra,  a cornercorner with one Se(2)O4 tetrahedra,  a cornercorner with one Se(3)O4 tetrahedra, and  a cornercorner with one Li(5)O4 trigonal pyramid. In the ninth Li site, Li(9) is bonded to one O(10), one O(14), one O(19), and one O(3) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Se(1)O4 tetrahedra,  a cornercorner with one Se(5)O4 tetrahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. In the tenth Li site, Li(10) is bonded in a trigonal planar geometry to one O(20), one O(21), and one O(24) atom. In the eleventh Li site, Li(11) is bonded in a 3-coordinate geometry to one O(23), one O(3), and one O(9) atom. In the twelfth Li site, Li(12) is bonded to one O(12), one O(16), one O(19), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one Se(1)O4 tetrahedra,  a cornercorner with one Se(2)O4 tetrahedra,  a cornercorner with one Se(5)O4 tetrahedra, and  a cornercorner with one Li(9)O4 trigonal pyramid. There are six inequivalent Se sites. In the first Se site, Se(1) is bonded to one O(10), one O(16), one O(2), and one O(23) atom to form SeO4 tetrahedra that share  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  a cornercorner with one Li(9)O4 trigonal pyramid. In the second Se site, Se(2) is bonded to one O(12), one O(13), one O(17), and one O(20) atom to form SeO4 tetrahedra that share  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and  a cornercorner with one Li(5)O4 trigonal pyramid. In the third Se site, Se(3) is bonded to one O(15), one O(21), one O(22), and one O(5) atom to form SeO4 tetrahedra that share  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(2)O4 trigonal pyramid, and  a cornercorner with one Li(5)O4 trigonal pyramid. In the fourth Se site, Se(4) is bonded in a trigonal non-coplanar geometry to one O(14), one O(19), and one O(9) atom. In the fifth Se site, Se(5) is bonded to one O(1), one O(18), one O(3), and one O(4) atom to form SeO4 tetrahedra that share  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(2)O4 trigonal pyramid, and  a cornercorner with one Li(9)O4 trigonal pyramid. In the sixth Se site, Se(6) is bonded in a trigonal non-coplanar geometry to one O(24), one O(6), and one O(7) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one Se(5) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one Li(4), and one Se(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(11), one Li(9), and one Se(5) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(12), one Li(3), and one Se(5) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one Se(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(5), one Li(8), and one Se(6) atom. In the seventh O site, O(7) is bonded to one Li(2), one Li(5), one Li(6), and one Se(6) atom to form edge-sharing OLi3Se tetrahedra. In the eighth O site, O(8) is bonded in a water-like geometry to one Li(6) and one O(11) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(11), one Li(3), and one Se(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(3), one Li(4), one Li(9), and one Se(1) atom. In the eleventh O site, O(11) is bonded in a water-like geometry to one Li(4) and one O(8) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(12), one Li(7), and one Se(2) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Li(1), one Li(6), and one Se(2) atom. In the fourteenth O site, O(14) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(4), one Li(9), and one Se(4) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Li(6) and one Se(3) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Li(12) and one Se(1) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Li(8) and one Se(2) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Li(4) and one Se(5) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Li(12), one Li(9), and one Se(4) atom. In the twentieth O site, O(20) is bonded to one Li(10), one Li(5), one Li(6), and one Se(2) atom to form distorted edge-sharing OLi3Se trigonal pyramids. In the twenty-first O site, O(21) is bonded in a trigonal planar geometry to one Li(10), one Li(8), and one Se(3) atom. In the twenty-second O site, O(22) is bonded in a trigonal planar geometry to one Li(5), one Li(7), and one Se(3) atom. In the twenty-third O site, O(23) is bonded in a trigonal planar geometry to one Li(11), one Li(8), and one Se(1) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Li(10), one Li(7), and one Se(6) atom. is represented by the CIF file [CIF]
data_Li2SeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.178
_cell_length_b   8.523
_cell_length_c   10.278
_cell_angle_alpha   92.209
_cell_angle_beta   100.794
_cell_angle_gamma   117.378
_symmetry_Int_Tables_number   1
_cell_volume   618.482
_cell_formula_units_Z   6
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  0.166  0.492  0.475  1.0
  Li  Li1  1  0.838  0.520  0.528  1.0
  Li  Li2  1  0.266  0.122  0.841  1.0
  Li  Li3  1  0.371  0.241  0.592  1.0
  Li  Li4  1  0.550  0.430  0.213  1.0
  Li  Li5  1  0.629  0.763  0.400  1.0
  Li  Li6  1  0.232  0.963  0.219  1.0
  Li  Li7  1  0.854  0.317  0.078  1.0
  Li  Li8  1  0.445  0.563  0.793  1.0
  Li  Li9  1  0.724  0.873  0.147  1.0
  Li  Li10  1  0.757  0.035  0.764  1.0
  Li  Li11  1  0.137  0.672  0.923  1.0
  Se  Se12  1  0.701  0.396  0.803  1.0
  Se  Se13  1  0.294  0.602  0.197  1.0
  Se  Se14  1  0.687  0.159  0.318  1.0
  Se  Se15  1  0.074  0.340  0.720  1.0
  Se  Se16  1  0.319  0.843  0.695  1.0
  Se  Se17  1  0.919  0.657  0.272  1.0
  O  O18  1  0.134  0.664  0.598  1.0
  O  O19  1  0.656  0.377  0.634  1.0
  O  O20  1  0.509  0.807  0.734  1.0
  O  O21  1  0.265  0.888  0.837  1.0
  O  O22  1  0.871  0.348  0.405  1.0
  O  O23  1  0.773  0.488  0.143  1.0
  O  O24  1  0.757  0.624  0.373  1.0
  O  O25  1  0.975  0.956  0.526  1.0
  O  O26  1  0.038  0.140  0.778  1.0
  O  O27  1  0.496  0.355  0.842  1.0
  O  O28  1  0.072  0.058  0.455  1.0
  O  O29  1  0.229  0.749  0.131  1.0
  O  O30  1  0.343  0.633  0.366  1.0
  O  O31  1  0.243  0.380  0.624  1.0
  O  O32  1  0.649  0.996  0.410  1.0
  O  O33  1  0.868  0.603  0.863  1.0
  O  O34  1  0.129  0.394  0.143  1.0
  O  O35  1  0.378  0.020  0.617  1.0
  O  O36  1  0.215  0.501  0.856  1.0
  O  O37  1  0.500  0.642  0.159  1.0
  O  O38  1  0.733  0.106  0.175  1.0
  O  O39  1  0.490  0.186  0.279  1.0
  O  O40  1  0.764  0.247  0.865  1.0
  O  O41  1  0.950  0.851  0.207  1.0
[/CIF]
.
The material structure described by Li2SeO4 crystallizes in the triclinic P1 space group. There are twelve inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(13), one O(14), and one O(5) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Se(2)O4 tetrahedra,  a cornercorner with one Se(3)O4 tetrahedra,  a cornercorner with one Se(5)O4 tetrahedra,  a cornercorner with one Li(9)O4 trigonal pyramid, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Se(1)O4 tetrahedra,  a cornercorner with one Se(3)O4 tetrahedra,  a cornercorner with one Se(5)O4 tetrahedra,  a cornercorner with one Li(5)O4 trigonal pyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the third Li site, Li(3) is bonded in a trigonal planar geometry to one O(10), one O(4), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(14), one O(18), and one O(2) atom. In the fifth Li site, Li(5) is bonded to one O(20), one O(22), one O(6), and one O(7) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Se(2)O4 tetrahedra,  a cornercorner with one Se(3)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. In the sixth Li site, Li(6) is bonded in a 5-coordinate geometry to one O(13), one O(15), one O(20), one O(7), and one O(8) atom. In the seventh Li site, Li(7) is bonded in a distorted trigonal planar geometry to one O(12), one O(22), and one O(24) atom. In the eighth Li site, Li(8) is bonded to one O(17), one O(21), one O(23), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one Se(1)O4 tetrahedra,  a cornercorner with one Se(2)O4 tetrahedra,  a cornercorner with one Se(3)O4 tetrahedra, and  a cornercorner with one Li(5)O4 trigonal pyramid. In the ninth Li site, Li(9) is bonded to one O(10), one O(14), one O(19), and one O(3) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Se(1)O4 tetrahedra,  a cornercorner with one Se(5)O4 tetrahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. In the tenth Li site, Li(10) is bonded in a trigonal planar geometry to one O(20), one O(21), and one O(24) atom. In the eleventh Li site, Li(11) is bonded in a 3-coordinate geometry to one O(23), one O(3), and one O(9) atom. In the twelfth Li site, Li(12) is bonded to one O(12), one O(16), one O(19), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one Se(1)O4 tetrahedra,  a cornercorner with one Se(2)O4 tetrahedra,  a cornercorner with one Se(5)O4 tetrahedra, and  a cornercorner with one Li(9)O4 trigonal pyramid. There are six inequivalent Se sites. In the first Se site, Se(1) is bonded to one O(10), one O(16), one O(2), and one O(23) atom to form SeO4 tetrahedra that share  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  a cornercorner with one Li(9)O4 trigonal pyramid. In the second Se site, Se(2) is bonded to one O(12), one O(13), one O(17), and one O(20) atom to form SeO4 tetrahedra that share  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and  a cornercorner with one Li(5)O4 trigonal pyramid. In the third Se site, Se(3) is bonded to one O(15), one O(21), one O(22), and one O(5) atom to form SeO4 tetrahedra that share  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(2)O4 trigonal pyramid, and  a cornercorner with one Li(5)O4 trigonal pyramid. In the fourth Se site, Se(4) is bonded in a trigonal non-coplanar geometry to one O(14), one O(19), and one O(9) atom. In the fifth Se site, Se(5) is bonded to one O(1), one O(18), one O(3), and one O(4) atom to form SeO4 tetrahedra that share  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(2)O4 trigonal pyramid, and  a cornercorner with one Li(9)O4 trigonal pyramid. In the sixth Se site, Se(6) is bonded in a trigonal non-coplanar geometry to one O(24), one O(6), and one O(7) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one Se(5) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one Li(4), and one Se(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(11), one Li(9), and one Se(5) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(12), one Li(3), and one Se(5) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one Se(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(5), one Li(8), and one Se(6) atom. In the seventh O site, O(7) is bonded to one Li(2), one Li(5), one Li(6), and one Se(6) atom to form edge-sharing OLi3Se tetrahedra. In the eighth O site, O(8) is bonded in a water-like geometry to one Li(6) and one O(11) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(11), one Li(3), and one Se(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(3), one Li(4), one Li(9), and one Se(1) atom. In the eleventh O site, O(11) is bonded in a water-like geometry to one Li(4) and one O(8) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(12), one Li(7), and one Se(2) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Li(1), one Li(6), and one Se(2) atom. In the fourteenth O site, O(14) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(4), one Li(9), and one Se(4) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Li(6) and one Se(3) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Li(12) and one Se(1) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Li(8) and one Se(2) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Li(4) and one Se(5) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Li(12), one Li(9), and one Se(4) atom. In the twentieth O site, O(20) is bonded to one Li(10), one Li(5), one Li(6), and one Se(2) atom to form distorted edge-sharing OLi3Se trigonal pyramids. In the twenty-first O site, O(21) is bonded in a trigonal planar geometry to one Li(10), one Li(8), and one Se(3) atom. In the twenty-second O site, O(22) is bonded in a trigonal planar geometry to one Li(5), one Li(7), and one Se(3) atom. In the twenty-third O site, O(23) is bonded in a trigonal planar geometry to one Li(11), one Li(8), and one Se(1) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Li(10), one Li(7), and one Se(6) atom. is represented by the CIF file [CIF]
data_Li2SeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.178
_cell_length_b   8.523
_cell_length_c   10.278
_cell_angle_alpha   92.209
_cell_angle_beta   100.794
_cell_angle_gamma   117.378
_symmetry_Int_Tables_number   1
_cell_volume   618.482
_cell_formula_units_Z   6
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  0.166  0.492  0.475  1.0
  Li  Li1  1  0.838  0.520  0.528  1.0
  Li  Li2  1  0.266  0.122  0.841  1.0
  Li  Li3  1  0.371  0.241  0.592  1.0
  Li  Li4  1  0.550  0.430  0.213  1.0
  Li  Li5  1  0.629  0.763  0.400  1.0
  Li  Li6  1  0.232  0.963  0.219  1.0
  Li  Li7  1  0.854  0.317  0.078  1.0
  Li  Li8  1  0.445  0.563  0.793  1.0
  Li  Li9  1  0.724  0.873  0.147  1.0
  Li  Li10  1  0.757  0.035  0.764  1.0
  Li  Li11  1  0.137  0.672  0.923  1.0
  Se  Se12  1  0.701  0.396  0.803  1.0
  Se  Se13  1  0.294  0.602  0.197  1.0
  Se  Se14  1  0.687  0.159  0.318  1.0
  Se  Se15  1  0.074  0.340  0.720  1.0
  Se  Se16  1  0.319  0.843  0.695  1.0
  Se  Se17  1  0.919  0.657  0.272  1.0
  O  O18  1  0.134  0.664  0.598  1.0
  O  O19  1  0.656  0.377  0.634  1.0
  O  O20  1  0.509  0.807  0.734  1.0
  O  O21  1  0.265  0.888  0.837  1.0
  O  O22  1  0.871  0.348  0.405  1.0
  O  O23  1  0.773  0.488  0.143  1.0
  O  O24  1  0.757  0.624  0.373  1.0
  O  O25  1  0.975  0.956  0.526  1.0
  O  O26  1  0.038  0.140  0.778  1.0
  O  O27  1  0.496  0.355  0.842  1.0
  O  O28  1  0.072  0.058  0.455  1.0
  O  O29  1  0.229  0.749  0.131  1.0
  O  O30  1  0.343  0.633  0.366  1.0
  O  O31  1  0.243  0.380  0.624  1.0
  O  O32  1  0.649  0.996  0.410  1.0
  O  O33  1  0.868  0.603  0.863  1.0
  O  O34  1  0.129  0.394  0.143  1.0
  O  O35  1  0.378  0.020  0.617  1.0
  O  O36  1  0.215  0.501  0.856  1.0
  O  O37  1  0.500  0.642  0.159  1.0
  O  O38  1  0.733  0.106  0.175  1.0
  O  O39  1  0.490  0.186  0.279  1.0
  O  O40  1  0.764  0.247  0.865  1.0
  O  O41  1  0.950  0.851  0.207  1.0
[/CIF]
.