The material 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 in a 5-coordinate geometry to one O(1), one O(13), one O(17), one O(18), and one O(5) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(15), one O(2), and one O(5) atom. In the third Li site, Li(3) is bonded to one O(10), one O(22), one O(4), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Se(1)O4 tetrahedra,  a cornercorner with one Se(4)O4 tetrahedra, and  a cornercorner with one Li(5)O4 trigonal pyramid. In the fourth Li site, Li(4) is bonded in a distorted see-saw-like geometry to one O(10), one O(11), one O(14), and one O(2) atom. In the fifth Li site, Li(5) is bonded to one O(22), one O(5), one O(6), and one O(7) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(3)O4 tetrahedra and  an edgeedge with one Se(6)O4 tetrahedra. In the sixth Li site, Li(6) is bonded in a distorted see-saw-like geometry to one O(13), one O(20), one O(7), and one O(8) atom. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to one O(12), one O(18), one O(22), and one O(24) atom. In the eighth Li site, Li(8) is bonded in a trigonal planar geometry to one O(17), one O(21), and one O(23) atom. In the ninth Li site, Li(9) is bonded to one O(1), one O(14), one O(19), and one O(3) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(10)O4 tetrahedra and  an edgeedge with one Se(4)O4 tetrahedra. In the tenth Li site, Li(10) is bonded to one O(20), one O(21), one O(24), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Se(2)O4 tetrahedra,  a cornercorner with one Se(6)O4 tetrahedra, and  a cornercorner with one Li(9)O4 trigonal pyramid. In the eleventh Li site, Li(11) is bonded in a 4-coordinate geometry to one O(15), one O(23), one O(3), and one O(9) atom. In the twelfth Li site, Li(12) is bonded in a trigonal non-coplanar geometry to one O(12), one O(16), and one O(4) atom. 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(3)O4 tetrahedra. 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(10)O4 tetrahedra. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one O(21), one O(22), and one O(5) atom. In the fourth Se site, Se(4) is bonded to one O(14), one O(15), one O(19), and one O(9) atom to form SeO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra and  an edgeedge with one Li(9)O4 trigonal pyramid. In the fifth Se site, Se(5) is bonded in a trigonal non-coplanar geometry to one O(1), one O(3), and one O(4) atom. In the sixth Se site, Se(6) is bonded to one O(18), one O(24), one O(6), and one O(7) atom to form SeO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra and  an edgeedge with one Li(5)O4 trigonal pyramid. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(9), and one Se(5) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Li(2), one Li(4), and one Se(1) atom. In the third O site, O(3) is bonded in a tetrahedral geometry to one Li(10), 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 to one Li(1), one Li(2), one Li(5), and one Se(3) atom to form distorted edge-sharing OLi3Se tetrahedra. In the sixth O site, O(6) is bonded in an L-shaped geometry to one Li(5) and one Se(6) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(5), one Li(6), and one Se(6) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Li(6) and one O(11) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(11), one Li(3), and one Se(4) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Li(3), one Li(4), and one Se(1) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees 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 distorted L-shaped 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 T-shaped geometry to one Li(4), one Li(9), and one Se(4) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(11), one Li(2), and one Se(4) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one Li(12) and one Se(1) atom. In the seventeenth O site, O(17) is bonded in a distorted T-shaped geometry to one Li(1), one Li(8), and one Se(2) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Li(7), and one Se(6) atom. In the nineteenth O site, O(19) is bonded in an L-shaped geometry to one Li(9) and one Se(4) atom. In the twentieth O site, O(20) is bonded in a distorted T-shaped geometry to one Li(10), one Li(6), and one Se(2) atom. 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 to one Li(3), one Li(5), one Li(7), and one Se(3) atom to form edge-sharing OLi3Se tetrahedra. 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 3-coordinate geometry to one Li(10), one Li(7), and one Se(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2SeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.892
_cell_length_b   8.939
_cell_length_c   9.871
_cell_angle_alpha   71.189
_cell_angle_beta   72.492
_cell_angle_gamma   66.473
_symmetry_Int_Tables_number   1
_cell_volume   667.391
_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  0.579  0.515  0.589  1.0
  Li  Li1  1  0.389  0.488  0.419  1.0
  Li  Li2  1  0.104  0.259  0.055  1.0
  Li  Li3  1  0.230  0.137  0.374  1.0
  Li  Li4  1  0.386  0.207  0.754  1.0
  Li  Li5  1  0.770  0.865  0.633  1.0
  Li  Li6  1  0.941  0.250  0.796  1.0
  Li  Li7  1  0.320  0.565  0.896  1.0
  Li  Li8  1  0.608  0.796  0.247  1.0
  Li  Li9  1  0.890  0.744  0.950  1.0
  Li  Li10  1  0.062  0.743  0.202  1.0
  Li  Li11  1  0.690  0.433  0.099  1.0
  Se  Se12  1  0.324  0.383  0.205  1.0
  Se  Se13  1  0.691  0.607  0.786  1.0
  Se  Se14  1  0.142  0.505  0.709  1.0
  Se  Se15  1  0.304  0.856  0.225  1.0
  Se  Se16  1  0.855  0.501  0.294  1.0
  Se  Se17  1  0.689  0.151  0.775  1.0
  O  O18  1  0.643  0.553  0.370  1.0
  O  O19  1  0.243  0.361  0.386  1.0
  O  O20  1  0.858  0.704  0.190  1.0
  O  O21  1  0.883  0.404  0.161  1.0
  O  O22  1  0.355  0.453  0.631  1.0
  O  O23  1  0.511  0.224  0.888  1.0
  O  O24  1  0.630  0.078  0.667  1.0
  O  O25  1  0.986  0.935  0.507  1.0
  O  O26  1  0.147  0.997  0.142  1.0
  O  O27  1  0.267  0.251  0.161  1.0
  O  O28  1  0.020  0.056  0.507  1.0
  O  O29  1  0.765  0.419  0.896  1.0
  O  O30  1  0.790  0.636  0.611  1.0
  O  O31  1  0.362  0.922  0.338  1.0
  O  O32  1  0.223  0.705  0.333  1.0
  O  O33  1  0.528  0.331  0.193  1.0
  O  O34  1  0.494  0.645  0.778  1.0
  O  O35  1  0.766  0.302  0.664  1.0
  O  O36  1  0.482  0.783  0.113  1.0
  O  O37  1  0.722  0.746  0.846  1.0
  O  O38  1  0.118  0.602  0.842  1.0
  O  O39  1  0.140  0.302  0.811  1.0
  O  O40  1  0.247  0.574  0.100  1.0
  O  O41  1  0.847  0.011  0.857  1.0
[/CIF]
.
The material 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 in a 5-coordinate geometry to one O(1), one O(13), one O(17), one O(18), and one O(5) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(15), one O(2), and one O(5) atom. In the third Li site, Li(3) is bonded to one O(10), one O(22), one O(4), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Se(1)O4 tetrahedra,  a cornercorner with one Se(4)O4 tetrahedra, and  a cornercorner with one Li(5)O4 trigonal pyramid. In the fourth Li site, Li(4) is bonded in a distorted see-saw-like geometry to one O(10), one O(11), one O(14), and one O(2) atom. In the fifth Li site, Li(5) is bonded to one O(22), one O(5), one O(6), and one O(7) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(3)O4 tetrahedra and  an edgeedge with one Se(6)O4 tetrahedra. In the sixth Li site, Li(6) is bonded in a distorted see-saw-like geometry to one O(13), one O(20), one O(7), and one O(8) atom. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to one O(12), one O(18), one O(22), and one O(24) atom. In the eighth Li site, Li(8) is bonded in a trigonal planar geometry to one O(17), one O(21), and one O(23) atom. In the ninth Li site, Li(9) is bonded to one O(1), one O(14), one O(19), and one O(3) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(10)O4 tetrahedra and  an edgeedge with one Se(4)O4 tetrahedra. In the tenth Li site, Li(10) is bonded to one O(20), one O(21), one O(24), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Se(2)O4 tetrahedra,  a cornercorner with one Se(6)O4 tetrahedra, and  a cornercorner with one Li(9)O4 trigonal pyramid. In the eleventh Li site, Li(11) is bonded in a 4-coordinate geometry to one O(15), one O(23), one O(3), and one O(9) atom. In the twelfth Li site, Li(12) is bonded in a trigonal non-coplanar geometry to one O(12), one O(16), and one O(4) atom. 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(3)O4 tetrahedra. 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(10)O4 tetrahedra. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one O(21), one O(22), and one O(5) atom. In the fourth Se site, Se(4) is bonded to one O(14), one O(15), one O(19), and one O(9) atom to form SeO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra and  an edgeedge with one Li(9)O4 trigonal pyramid. In the fifth Se site, Se(5) is bonded in a trigonal non-coplanar geometry to one O(1), one O(3), and one O(4) atom. In the sixth Se site, Se(6) is bonded to one O(18), one O(24), one O(6), and one O(7) atom to form SeO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra and  an edgeedge with one Li(5)O4 trigonal pyramid. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(9), and one Se(5) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Li(2), one Li(4), and one Se(1) atom. In the third O site, O(3) is bonded in a tetrahedral geometry to one Li(10), 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 to one Li(1), one Li(2), one Li(5), and one Se(3) atom to form distorted edge-sharing OLi3Se tetrahedra. In the sixth O site, O(6) is bonded in an L-shaped geometry to one Li(5) and one Se(6) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(5), one Li(6), and one Se(6) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Li(6) and one O(11) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(11), one Li(3), and one Se(4) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Li(3), one Li(4), and one Se(1) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees 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 distorted L-shaped 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 T-shaped geometry to one Li(4), one Li(9), and one Se(4) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(11), one Li(2), and one Se(4) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one Li(12) and one Se(1) atom. In the seventeenth O site, O(17) is bonded in a distorted T-shaped geometry to one Li(1), one Li(8), and one Se(2) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Li(7), and one Se(6) atom. In the nineteenth O site, O(19) is bonded in an L-shaped geometry to one Li(9) and one Se(4) atom. In the twentieth O site, O(20) is bonded in a distorted T-shaped geometry to one Li(10), one Li(6), and one Se(2) atom. 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 to one Li(3), one Li(5), one Li(7), and one Se(3) atom to form edge-sharing OLi3Se tetrahedra. 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 3-coordinate geometry to one Li(10), one Li(7), and one Se(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2SeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.892
_cell_length_b   8.939
_cell_length_c   9.871
_cell_angle_alpha   71.189
_cell_angle_beta   72.492
_cell_angle_gamma   66.473
_symmetry_Int_Tables_number   1
_cell_volume   667.391
_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  0.579  0.515  0.589  1.0
  Li  Li1  1  0.389  0.488  0.419  1.0
  Li  Li2  1  0.104  0.259  0.055  1.0
  Li  Li3  1  0.230  0.137  0.374  1.0
  Li  Li4  1  0.386  0.207  0.754  1.0
  Li  Li5  1  0.770  0.865  0.633  1.0
  Li  Li6  1  0.941  0.250  0.796  1.0
  Li  Li7  1  0.320  0.565  0.896  1.0
  Li  Li8  1  0.608  0.796  0.247  1.0
  Li  Li9  1  0.890  0.744  0.950  1.0
  Li  Li10  1  0.062  0.743  0.202  1.0
  Li  Li11  1  0.690  0.433  0.099  1.0
  Se  Se12  1  0.324  0.383  0.205  1.0
  Se  Se13  1  0.691  0.607  0.786  1.0
  Se  Se14  1  0.142  0.505  0.709  1.0
  Se  Se15  1  0.304  0.856  0.225  1.0
  Se  Se16  1  0.855  0.501  0.294  1.0
  Se  Se17  1  0.689  0.151  0.775  1.0
  O  O18  1  0.643  0.553  0.370  1.0
  O  O19  1  0.243  0.361  0.386  1.0
  O  O20  1  0.858  0.704  0.190  1.0
  O  O21  1  0.883  0.404  0.161  1.0
  O  O22  1  0.355  0.453  0.631  1.0
  O  O23  1  0.511  0.224  0.888  1.0
  O  O24  1  0.630  0.078  0.667  1.0
  O  O25  1  0.986  0.935  0.507  1.0
  O  O26  1  0.147  0.997  0.142  1.0
  O  O27  1  0.267  0.251  0.161  1.0
  O  O28  1  0.020  0.056  0.507  1.0
  O  O29  1  0.765  0.419  0.896  1.0
  O  O30  1  0.790  0.636  0.611  1.0
  O  O31  1  0.362  0.922  0.338  1.0
  O  O32  1  0.223  0.705  0.333  1.0
  O  O33  1  0.528  0.331  0.193  1.0
  O  O34  1  0.494  0.645  0.778  1.0
  O  O35  1  0.766  0.302  0.664  1.0
  O  O36  1  0.482  0.783  0.113  1.0
  O  O37  1  0.722  0.746  0.846  1.0
  O  O38  1  0.118  0.602  0.842  1.0
  O  O39  1  0.140  0.302  0.811  1.0
  O  O40  1  0.247  0.574  0.100  1.0
  O  O41  1  0.847  0.011  0.857  1.0
[/CIF]
.