Li2Sn(BO3)2 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(15), one O(2), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra,  a cornercorner with one Sn(3)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Sn(2)O5 trigonal bipyramid, corners with two equivalent Li(7)O5 trigonal bipyramids, and  an edgeedge with one Li(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 66-68°. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(16), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra,  a cornercorner with one Sn(3)O6 octahedra, corners with two equivalent Sn(4)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 57-84°. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(15), one O(19), one O(24), and one O(9) atom. In the fourth Li site, Li(4) is bonded to one O(10), one O(15), one O(16), one O(20), and one O(23) atom to form distorted LiO5 trigonal bipyramids that share  an edgeedge with one Sn(3)O6 octahedra,  an edgeedge with one Sn(4)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(7)O5 trigonal bipyramid. In the fifth Li site, Li(5) is bonded to one O(13), one O(18), one O(22), one O(24), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Sn(1)O6 octahedra,  an edgeedge with one Sn(4)O6 octahedra,  an edgeedge with one Li(8)O4 tetrahedra, and  an edgeedge with one Sn(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 14°. In the sixth Li site, Li(6) is bonded in a 5-coordinate geometry to one O(13), one O(17), one O(21), one O(22), and one O(3) atom. In the seventh Li site, Li(7) is bonded to one O(14), one O(15), one O(19), one O(23), and one O(5) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Sn(1)O6 octahedra,  an edgeedge with one Sn(3)O6 octahedra, and  an edgeedge with one Li(4)O5 trigonal bipyramid. In the eighth Li site, Li(8) is bonded to one O(14), one O(18), one O(22), and one O(4) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra,  a cornercorner with one Sn(3)O6 octahedra,  a cornercorner with one Li(7)O5 trigonal bipyramid, corners with two equivalent Sn(2)O5 trigonal bipyramids, and  an edgeedge with one Li(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 63-79°. There are eight inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(10), one O(23), and one O(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(24), one O(8), and one O(9) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(13), one O(3), and one O(6) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(14), one O(4), and one O(5) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(11), one O(20), and one O(21) atom. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(12), one O(19), and one O(22) atom. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one O(1), one O(16), and one O(17) atom. In the eighth B site, B(8) is bonded in a trigonal planar geometry to one O(15), one O(18), and one O(2) atom. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(1), one O(12), one O(19), one O(22), one O(5), and one O(9) atom to form SnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  an edgeedge with one Li(7)O5 trigonal bipyramid. In the second Sn site, Sn(2) is bonded to one O(11), one O(18), one O(2), one O(4), and one O(8) atom to form distorted SnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, and  an edgeedge with one Li(5)O5 trigonal bipyramid. In the third Sn site, Sn(3) is bonded to one O(10), one O(14), one O(17), one O(21), one O(23), and one O(7) atom to form distorted SnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  an edgeedge with one Li(4)O5 trigonal bipyramid, and  an edgeedge with one Li(7)O5 trigonal bipyramid. In the fourth Sn site, Sn(4) is bonded to one O(13), one O(16), one O(20), one O(24), one O(3), and one O(6) atom to form SnO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Li(4)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O5 trigonal bipyramid. 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(2), one B(7), and one Sn(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one B(8), and one Sn(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(6), one B(3), and one Sn(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(8), one B(4), and one Sn(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(7), one B(4), and one Sn(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one B(3), and one Sn(4) atom. In the seventh O site, O(7) is bonded in a water-like geometry to one B(1) and one Sn(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(5), one B(2), and one Sn(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(3), one B(2), and one Sn(1) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(4), one B(1), and one Sn(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one B(5) and one Sn(2) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one B(6) and one Sn(1) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Li(5), one Li(6), one B(3), and one Sn(4) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Li(7), one Li(8), one B(4), and one Sn(3) atom. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Li(4), one Li(7), and one B(8) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one B(7), and one Sn(4) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal non-coplanar geometry to one Li(6), one B(7), and one Sn(3) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Li(5), one Li(8), one B(8), and one Sn(2) atom. In the nineteenth O site, O(19) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(7), one B(6), and one Sn(1) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Li(4), one B(5), and one Sn(4) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(6), one B(5), and one Sn(3) atom. In the twenty-second O site, O(22) is bonded in a 5-coordinate geometry to one Li(5), one Li(6), one Li(8), one B(6), and one Sn(1) atom. In the twenty-third O site, O(23) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(7), one B(1), and one Sn(3) atom. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one Li(3), one Li(5), one B(2), and one Sn(4) atom.
Li2Sn(BO3)2 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(15), one O(2), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra,  a cornercorner with one Sn(3)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Sn(2)O5 trigonal bipyramid, corners with two equivalent Li(7)O5 trigonal bipyramids, and  an edgeedge with one Li(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 66-68°. The Li(1)-O(10) bond length is 2.06 Å. The Li(1)-O(15) bond length is 1.97 Å. The Li(1)-O(2) bond length is 1.98 Å. The Li(1)-O(5) bond length is 2.05 Å. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(16), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra,  a cornercorner with one Sn(3)O6 octahedra, corners with two equivalent Sn(4)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 57-84°. The Li(2)-O(1) bond length is 2.15 Å. The Li(2)-O(10) bond length is 2.23 Å. The Li(2)-O(16) bond length is 1.96 Å. The Li(2)-O(6) bond length is 1.87 Å. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(15), one O(19), one O(24), and one O(9) atom. The Li(3)-O(15) bond length is 2.28 Å. The Li(3)-O(19) bond length is 1.90 Å. The Li(3)-O(24) bond length is 2.04 Å. The Li(3)-O(9) bond length is 1.93 Å. In the fourth Li site, Li(4) is bonded to one O(10), one O(15), one O(16), one O(20), and one O(23) atom to form distorted LiO5 trigonal bipyramids that share  an edgeedge with one Sn(3)O6 octahedra,  an edgeedge with one Sn(4)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(7)O5 trigonal bipyramid. The Li(4)-O(10) bond length is 1.99 Å. The Li(4)-O(15) bond length is 2.32 Å. The Li(4)-O(16) bond length is 2.46 Å. The Li(4)-O(20) bond length is 1.90 Å. The Li(4)-O(23) bond length is 2.07 Å. In the fifth Li site, Li(5) is bonded to one O(13), one O(18), one O(22), one O(24), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Sn(1)O6 octahedra,  an edgeedge with one Sn(4)O6 octahedra,  an edgeedge with one Li(8)O4 tetrahedra, and  an edgeedge with one Sn(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 14°. The Li(5)-O(13) bond length is 1.96 Å. The Li(5)-O(18) bond length is 2.39 Å. The Li(5)-O(22) bond length is 2.34 Å. The Li(5)-O(24) bond length is 2.18 Å. The Li(5)-O(8) bond length is 2.14 Å. In the sixth Li site, Li(6) is bonded in a 5-coordinate geometry to one O(13), one O(17), one O(21), one O(22), and one O(3) atom. The Li(6)-O(13) bond length is 2.34 Å. The Li(6)-O(17) bond length is 1.98 Å. The Li(6)-O(21) bond length is 2.54 Å. The Li(6)-O(22) bond length is 2.27 Å. The Li(6)-O(3) bond length is 1.89 Å. In the seventh Li site, Li(7) is bonded to one O(14), one O(15), one O(19), one O(23), and one O(5) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Sn(1)O6 octahedra,  an edgeedge with one Sn(3)O6 octahedra, and  an edgeedge with one Li(4)O5 trigonal bipyramid. The Li(7)-O(14) bond length is 2.03 Å. The Li(7)-O(15) bond length is 2.13 Å. The Li(7)-O(19) bond length is 2.29 Å. The Li(7)-O(23) bond length is 2.12 Å. The Li(7)-O(5) bond length is 2.18 Å. In the eighth Li site, Li(8) is bonded to one O(14), one O(18), one O(22), and one O(4) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra,  a cornercorner with one Sn(3)O6 octahedra,  a cornercorner with one Li(7)O5 trigonal bipyramid, corners with two equivalent Sn(2)O5 trigonal bipyramids, and  an edgeedge with one Li(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 63-79°. The Li(8)-O(14) bond length is 2.16 Å. The Li(8)-O(18) bond length is 1.93 Å. The Li(8)-O(22) bond length is 2.21 Å. The Li(8)-O(4) bond length is 1.88 Å. There are eight inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(10), one O(23), and one O(7) atom. The B(1)-O(10) bond length is 1.39 Å. The B(1)-O(23) bond length is 1.41 Å. The B(1)-O(7) bond length is 1.38 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(24), one O(8), and one O(9) atom. The B(2)-O(24) bond length is 1.40 Å. The B(2)-O(8) bond length is 1.41 Å. The B(2)-O(9) bond length is 1.39 Å. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(13), one O(3), and one O(6) atom. The B(3)-O(13) bond length is 1.39 Å. The B(3)-O(3) bond length is 1.38 Å. The B(3)-O(6) bond length is 1.40 Å. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(14), one O(4), and one O(5) atom. The B(4)-O(14) bond length is 1.41 Å. The B(4)-O(4) bond length is 1.37 Å. The B(4)-O(5) bond length is 1.41 Å. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(11), one O(20), and one O(21) atom. The B(5)-O(11) bond length is 1.37 Å. The B(5)-O(20) bond length is 1.39 Å. The B(5)-O(21) bond length is 1.38 Å. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(12), one O(19), and one O(22) atom. The B(6)-O(12) bond length is 1.35 Å. The B(6)-O(19) bond length is 1.41 Å. The B(6)-O(22) bond length is 1.39 Å. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one O(1), one O(16), and one O(17) atom. The B(7)-O(1) bond length is 1.39 Å. The B(7)-O(16) bond length is 1.38 Å. The B(7)-O(17) bond length is 1.39 Å. In the eighth B site, B(8) is bonded in a trigonal planar geometry to one O(15), one O(18), and one O(2) atom. The B(8)-O(15) bond length is 1.38 Å. The B(8)-O(18) bond length is 1.41 Å. The B(8)-O(2) bond length is 1.38 Å. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(1), one O(12), one O(19), one O(22), one O(5), and one O(9) atom to form SnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  an edgeedge with one Li(7)O5 trigonal bipyramid. The Sn(1)-O(1) bond length is 2.06 Å. The Sn(1)-O(12) bond length is 2.00 Å. The Sn(1)-O(19) bond length is 2.10 Å. The Sn(1)-O(22) bond length is 2.23 Å. The Sn(1)-O(5) bond length is 2.18 Å. The Sn(1)-O(9) bond length is 2.04 Å. In the second Sn site, Sn(2) is bonded to one O(11), one O(18), one O(2), one O(4), and one O(8) atom to form distorted SnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, and  an edgeedge with one Li(5)O5 trigonal bipyramid. The Sn(2)-O(11) bond length is 1.98 Å. The Sn(2)-O(18) bond length is 2.09 Å. The Sn(2)-O(2) bond length is 2.05 Å. The Sn(2)-O(4) bond length is 2.02 Å. The Sn(2)-O(8) bond length is 2.07 Å. In the third Sn site, Sn(3) is bonded to one O(10), one O(14), one O(17), one O(21), one O(23), and one O(7) atom to form distorted SnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  an edgeedge with one Li(4)O5 trigonal bipyramid, and  an edgeedge with one Li(7)O5 trigonal bipyramid. The Sn(3)-O(10) bond length is 2.45 Å. The Sn(3)-O(14) bond length is 2.20 Å. The Sn(3)-O(17) bond length is 2.07 Å. The Sn(3)-O(21) bond length is 1.98 Å. The Sn(3)-O(23) bond length is 2.12 Å. The Sn(3)-O(7) bond length is 2.04 Å. In the fourth Sn site, Sn(4) is bonded to one O(13), one O(16), one O(20), one O(24), one O(3), and one O(6) atom to form SnO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Li(4)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O5 trigonal bipyramid. The Sn(4)-O(13) bond length is 2.09 Å. The Sn(4)-O(16) bond length is 2.07 Å. The Sn(4)-O(20) bond length is 2.05 Å. The Sn(4)-O(24) bond length is 2.19 Å. The Sn(4)-O(3) bond length is 2.13 Å. The Sn(4)-O(6) bond length is 2.10 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(2), one B(7), and one Sn(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one B(8), and one Sn(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(6), one B(3), and one Sn(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(8), one B(4), and one Sn(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(7), one B(4), and one Sn(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one B(3), and one Sn(4) atom. In the seventh O site, O(7) is bonded in a water-like geometry to one B(1) and one Sn(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(5), one B(2), and one Sn(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(3), one B(2), and one Sn(1) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(4), one B(1), and one Sn(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one B(5) and one Sn(2) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one B(6) and one Sn(1) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Li(5), one Li(6), one B(3), and one Sn(4) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Li(7), one Li(8), one B(4), and one Sn(3) atom. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Li(4), one Li(7), and one B(8) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one B(7), and one Sn(4) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal non-coplanar geometry to one Li(6), one B(7), and one Sn(3) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Li(5), one Li(8), one B(8), and one Sn(2) atom. In the nineteenth O site, O(19) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(7), one B(6), and one Sn(1) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Li(4), one B(5), and one Sn(4) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(6), one B(5), and one Sn(3) atom. In the twenty-second O site, O(22) is bonded in a 5-coordinate geometry to one Li(5), one Li(6), one Li(8), one B(6), and one Sn(1) atom. In the twenty-third O site, O(23) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(7), one B(1), and one Sn(3) atom. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one Li(3), one Li(5), one B(2), and one Sn(4) atom.