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 4-coordinate geometry to one O(1), one O(13), one O(17), and one O(18) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(15), one O(16), one O(2), and one O(5) atom. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(10), one O(22), and one O(9) atom. In the fourth Li site, Li(4) is bonded to one O(10), one O(11), one O(14), and one O(2) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Se(4)O4 tetrahedra,  a cornercorner with one Li(7)O4 trigonal pyramid, and  an edgeedge with one Se(1)O4 tetrahedra. In the fifth Li site, Li(5) is bonded in a rectangular see-saw-like geometry to one O(22), one O(5), one O(6), and one O(7) atom. In the sixth Li site, Li(6) is bonded to one O(13), one O(20), one O(7), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Se(6)O4 tetrahedra and  an edgeedge with one Se(2)O4 tetrahedra. In the seventh Li site, Li(7) is bonded to one O(11), one O(12), one O(18), and one O(24) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Se(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid, and  an edgeedge with one Se(6)O4 tetrahedra. 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, and  a cornercorner with one Se(6)O4 tetrahedra. In the ninth Li site, Li(9) is bonded in a rectangular see-saw-like geometry to one O(1), one O(14), one O(19), and one O(3) atom. In the tenth Li site, Li(10) is bonded in a 3-coordinate geometry to one O(20), one O(24), and one O(3) atom. In the eleventh Li site, Li(11) is bonded in a 4-coordinate geometry to one O(15), one O(23), one O(8), 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(4)O4 tetrahedra, and  a cornercorner with one Li(7)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, and  an edgeedge with one Li(4)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(7)O4 trigonal pyramid, and  an edgeedge with one Li(6)O4 trigonal pyramid. 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(12)O4 tetrahedra and  a cornercorner with one Li(4)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(8)O4 tetrahedra,  a cornercorner with one Li(6)O4 trigonal pyramid, and  an edgeedge with one Li(7)O4 trigonal pyramid. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(9), and one Se(5) atom. In the second O site, O(2) is bonded in a distorted 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 T-shaped geometry to one Li(10), one Li(9), and one Se(5) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Li(12) and one Se(5) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(5), 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 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 trigonal planar geometry to one Li(11), one Li(6), and one O(11) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped 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 trigonal planar geometry to one Li(4), one Li(7), and one O(8) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar 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 T-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 T-shaped geometry to one Li(12), one Li(2), and one Se(1) atom. In the seventeenth O site, O(17) is bonded in a 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 planar geometry to one Li(1), one Li(7), and one Se(6) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal non-coplanar geometry to one Li(12), 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 bent 120 degrees geometry to one Li(8) and one Se(3) atom. In the twenty-second O site, O(22) is bonded in a T-shaped geometry to one Li(3), one Li(5), and one Se(3) atom. In the twenty-third O site, O(23) is bonded in a distorted trigonal non-coplanar 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.
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 4-coordinate geometry to one O(1), one O(13), one O(17), and one O(18) atom. The Li(1)-O(1) bond length is 1.90 Å. The Li(1)-O(13) bond length is 2.45 Å. The Li(1)-O(17) bond length is 2.24 Å. The Li(1)-O(18) bond length is 1.99 Å. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(15), one O(16), one O(2), and one O(5) atom. The Li(2)-O(15) bond length is 1.98 Å. The Li(2)-O(16) bond length is 2.28 Å. The Li(2)-O(2) bond length is 2.44 Å. The Li(2)-O(5) bond length is 1.87 Å. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(10), one O(22), and one O(9) atom. The Li(3)-O(10) bond length is 1.93 Å. The Li(3)-O(22) bond length is 1.93 Å. The Li(3)-O(9) bond length is 2.28 Å. In the fourth Li site, Li(4) is bonded to one O(10), one O(11), one O(14), and one O(2) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Se(4)O4 tetrahedra,  a cornercorner with one Li(7)O4 trigonal pyramid, and  an edgeedge with one Se(1)O4 tetrahedra. The Li(4)-O(10) bond length is 2.02 Å. The Li(4)-O(11) bond length is 2.10 Å. The Li(4)-O(14) bond length is 1.92 Å. The Li(4)-O(2) bond length is 2.11 Å. In the fifth Li site, Li(5) is bonded in a rectangular see-saw-like geometry to one O(22), one O(5), one O(6), and one O(7) atom. The Li(5)-O(22) bond length is 2.01 Å. The Li(5)-O(5) bond length is 1.99 Å. The Li(5)-O(6) bond length is 2.20 Å. The Li(5)-O(7) bond length is 1.98 Å. In the sixth Li site, Li(6) is bonded to one O(13), one O(20), one O(7), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Se(6)O4 tetrahedra and  an edgeedge with one Se(2)O4 tetrahedra. The Li(6)-O(13) bond length is 2.13 Å. The Li(6)-O(20) bond length is 2.02 Å. The Li(6)-O(7) bond length is 1.92 Å. The Li(6)-O(8) bond length is 2.09 Å. In the seventh Li site, Li(7) is bonded to one O(11), one O(12), one O(18), and one O(24) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Se(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid, and  an edgeedge with one Se(6)O4 tetrahedra. The Li(7)-O(11) bond length is 2.49 Å. The Li(7)-O(12) bond length is 1.95 Å. The Li(7)-O(18) bond length is 2.03 Å. The Li(7)-O(24) bond length is 2.00 Å. 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, and  a cornercorner with one Se(6)O4 tetrahedra. The Li(8)-O(17) bond length is 2.03 Å. The Li(8)-O(21) bond length is 1.97 Å. The Li(8)-O(23) bond length is 2.14 Å. The Li(8)-O(6) bond length is 2.21 Å. In the ninth Li site, Li(9) is bonded in a rectangular see-saw-like geometry to one O(1), one O(14), one O(19), and one O(3) atom. The Li(9)-O(1) bond length is 2.05 Å. The Li(9)-O(14) bond length is 1.98 Å. The Li(9)-O(19) bond length is 2.22 Å. The Li(9)-O(3) bond length is 1.97 Å. In the tenth Li site, Li(10) is bonded in a 3-coordinate geometry to one O(20), one O(24), and one O(3) atom. The Li(10)-O(20) bond length is 1.91 Å. The Li(10)-O(24) bond length is 2.49 Å. The Li(10)-O(3) bond length is 1.89 Å. In the eleventh Li site, Li(11) is bonded in a 4-coordinate geometry to one O(15), one O(23), one O(8), and one O(9) atom. The Li(11)-O(15) bond length is 2.00 Å. The Li(11)-O(23) bond length is 1.95 Å. The Li(11)-O(8) bond length is 2.56 Å. The Li(11)-O(9) bond length is 2.03 Å. 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(4)O4 tetrahedra, and  a cornercorner with one Li(7)O4 trigonal pyramid. The Li(12)-O(12) bond length is 2.19 Å. The Li(12)-O(16) bond length is 2.04 Å. The Li(12)-O(19) bond length is 2.27 Å. The Li(12)-O(4) bond length is 2.01 Å. 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, and  an edgeedge with one Li(4)O4 trigonal pyramid. The Se(1)-O(10) bond length is 1.67 Å. The Se(1)-O(16) bond length is 1.69 Å. The Se(1)-O(2) bond length is 1.68 Å. The Se(1)-O(23) bond length is 1.68 Å. 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(7)O4 trigonal pyramid, and  an edgeedge with one Li(6)O4 trigonal pyramid. The Se(2)-O(12) bond length is 1.68 Å. The Se(2)-O(13) bond length is 1.68 Å. The Se(2)-O(17) bond length is 1.68 Å. The Se(2)-O(20) bond length is 1.67 Å. 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. The Se(3)-O(21) bond length is 1.71 Å. The Se(3)-O(22) bond length is 1.75 Å. The Se(3)-O(5) bond length is 1.72 Å. 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(12)O4 tetrahedra and  a cornercorner with one Li(4)O4 trigonal pyramid. The Se(4)-O(14) bond length is 1.69 Å. The Se(4)-O(15) bond length is 1.68 Å. The Se(4)-O(19) bond length is 1.67 Å. The Se(4)-O(9) bond length is 1.68 Å. 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. The Se(5)-O(1) bond length is 1.73 Å. The Se(5)-O(3) bond length is 1.74 Å. The Se(5)-O(4) bond length is 1.71 Å. 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(8)O4 tetrahedra,  a cornercorner with one Li(6)O4 trigonal pyramid, and  an edgeedge with one Li(7)O4 trigonal pyramid. The Se(6)-O(18) bond length is 1.68 Å. The Se(6)-O(24) bond length is 1.68 Å. The Se(6)-O(6) bond length is 1.67 Å. The Se(6)-O(7) bond length is 1.69 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(9), and one Se(5) atom. In the second O site, O(2) is bonded in a distorted 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 T-shaped geometry to one Li(10), one Li(9), and one Se(5) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Li(12) and one Se(5) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(5), 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 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 trigonal planar geometry to one Li(11), one Li(6), and one O(11) atom. The O(8)-O(11) bond length is 1.27 Å. In the ninth O site, O(9) is bonded in a distorted T-shaped 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 trigonal planar geometry to one Li(4), one Li(7), and one O(8) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar 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 T-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 T-shaped geometry to one Li(12), one Li(2), and one Se(1) atom. In the seventeenth O site, O(17) is bonded in a 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 planar geometry to one Li(1), one Li(7), and one Se(6) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal non-coplanar geometry to one Li(12), 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 bent 120 degrees geometry to one Li(8) and one Se(3) atom. In the twenty-second O site, O(22) is bonded in a T-shaped geometry to one Li(3), one Li(5), and one Se(3) atom. In the twenty-third O site, O(23) is bonded in a distorted trigonal non-coplanar 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.