Li2Sn(BO3)2 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(2), one O(3), and one O(6) atom. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), one O(5), and one O(9) atom. In the third Li site, Li(3) is bonded to one O(11), one O(3), one O(7), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra and corners with two equivalent Sn(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 70°. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(12), one O(4), one O(8), and one O(9) atom. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(3), one O(6), and one O(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(8) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(1), one O(10), and one O(11) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(12), one O(2), and one O(9) atom. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(1), one O(12), one O(2), one O(4), one O(5), and one O(9) atom to form distorted SnO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra. In the second Sn site, Sn(2) is bonded to one O(10), one O(11), one O(6), one O(7), and one O(8) atom to form SnO5 trigonal bipyramids that share corners with two equivalent Li(3)O4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one B(3), and one Sn(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one B(4), and one Sn(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Li(3), and one B(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(4), one B(2), and one Sn(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one B(2), and one Sn(1) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Li(1), one B(1), and one Sn(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(3), one B(1), and one Sn(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(4), one B(2), and one Sn(2) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one Li(4), one B(4), and one Sn(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one B(3) and one Sn(2) atom. In the eleventh O site, O(11) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(3), one B(3), and one Sn(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(4), one B(4), and one Sn(1) atom.
Li2Sn(BO3)2 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(2), one O(3), and one O(6) atom. The Li(1)-O(1) bond length is 2.01 Å. The Li(1)-O(11) bond length is 2.15 Å. The Li(1)-O(2) bond length is 2.53 Å. The Li(1)-O(3) bond length is 2.06 Å. The Li(1)-O(6) bond length is 2.18 Å. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), one O(5), and one O(9) atom. The Li(2)-O(2) bond length is 2.05 Å. The Li(2)-O(3) bond length is 1.97 Å. The Li(2)-O(5) bond length is 1.95 Å. The Li(2)-O(9) bond length is 2.03 Å. In the third Li site, Li(3) is bonded to one O(11), one O(3), one O(7), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra and corners with two equivalent Sn(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 70°. The Li(3)-O(11) bond length is 1.97 Å. The Li(3)-O(3) bond length is 1.93 Å. The Li(3)-O(7) bond length is 1.97 Å. The Li(3)-O(9) bond length is 2.32 Å. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(12), one O(4), one O(8), and one O(9) atom. The Li(4)-O(12) bond length is 1.88 Å. The Li(4)-O(4) bond length is 1.92 Å. The Li(4)-O(8) bond length is 2.12 Å. The Li(4)-O(9) bond length is 2.15 Å. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(3), one O(6), and one O(7) atom. The B(1)-O(3) bond length is 1.35 Å. The B(1)-O(6) bond length is 1.41 Å. The B(1)-O(7) bond length is 1.41 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(8) atom. The B(2)-O(4) bond length is 1.39 Å. The B(2)-O(5) bond length is 1.39 Å. The B(2)-O(8) bond length is 1.39 Å. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(1), one O(10), and one O(11) atom. The B(3)-O(1) bond length is 1.39 Å. The B(3)-O(10) bond length is 1.37 Å. The B(3)-O(11) bond length is 1.41 Å. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(12), one O(2), and one O(9) atom. The B(4)-O(12) bond length is 1.39 Å. The B(4)-O(2) bond length is 1.38 Å. The B(4)-O(9) bond length is 1.39 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(1), one O(12), one O(2), one O(4), one O(5), and one O(9) atom to form distorted SnO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra. The Sn(1)-O(1) bond length is 2.07 Å. The Sn(1)-O(12) bond length is 2.08 Å. The Sn(1)-O(2) bond length is 2.07 Å. The Sn(1)-O(4) bond length is 2.04 Å. The Sn(1)-O(5) bond length is 2.09 Å. The Sn(1)-O(9) bond length is 2.25 Å. In the second Sn site, Sn(2) is bonded to one O(10), one O(11), one O(6), one O(7), and one O(8) atom to form SnO5 trigonal bipyramids that share corners with two equivalent Li(3)O4 tetrahedra. The Sn(2)-O(10) bond length is 2.00 Å. The Sn(2)-O(11) bond length is 2.13 Å. The Sn(2)-O(6) bond length is 2.04 Å. The Sn(2)-O(7) bond length is 2.03 Å. The Sn(2)-O(8) bond length is 2.07 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one B(3), and one Sn(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one B(4), and one Sn(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Li(3), and one B(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(4), one B(2), and one Sn(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one B(2), and one Sn(1) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Li(1), one B(1), and one Sn(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(3), one B(1), and one Sn(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(4), one B(2), and one Sn(2) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one Li(4), one B(4), and one Sn(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one B(3) and one Sn(2) atom. In the eleventh O site, O(11) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(3), one B(3), and one Sn(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(4), one B(4), and one Sn(1) atom.