Li3Sn(BO3)2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form a mixture of corner and edge-sharing LiO4 tetrahedra. In the third Li site, Li(3) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form a mixture of distorted corner and edge-sharing LiO4 tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) 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(6) atom. Sn(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Li(3), one B(2), and one Sn(1) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one B(1), and one Sn(1) atom. In the third O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one B(1), and one Sn(1) atom. In the fourth O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one B(1), and one Sn(1) atom. In the fifth O site, O(4) is bonded in a 4-coordinate geometry to one Li(3), one B(2), and two equivalent Sn(1) atoms. In the sixth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one B(2), and one Sn(1) atom.
Li3Sn(BO3)2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. The Li(1)-O(1) bond length is 2.05 Å. The Li(1)-O(2) bond length is 1.94 Å. The Li(1)-O(3) bond length is 2.07 Å. The Li(1)-O(5) bond length is 1.93 Å. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form a mixture of corner and edge-sharing LiO4 tetrahedra. The Li(2)-O(1) bond length is 1.99 Å. The Li(2)-O(2) bond length is 2.00 Å. The Li(2)-O(3) bond length is 2.07 Å. The Li(2)-O(6) bond length is 1.97 Å. In the third Li site, Li(3) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form a mixture of distorted corner and edge-sharing LiO4 tetrahedra. The Li(3)-O(3) bond length is 2.03 Å. The Li(3)-O(4) bond length is 1.92 Å. The Li(3)-O(5) bond length is 1.93 Å. The Li(3)-O(6) bond length is 1.90 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The B(1)-O(1) bond length is 1.39 Å. The B(1)-O(2) bond length is 1.39 Å. The B(1)-O(3) bond length is 1.40 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(6) atom. The B(2)-O(4) bond length is 1.40 Å. The B(2)-O(5) bond length is 1.39 Å. The B(2)-O(6) bond length is 1.37 Å. Sn(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. The Sn(1)-O(1) bond length is 2.27 Å. The Sn(1)-O(2) bond length is 2.33 Å. The Sn(1)-O(3) bond length is 2.48 Å. The Sn(1)-O(5) bond length is 2.38 Å. The Sn(1)-O(6) bond length is 2.58 Å. There is one shorter (2.35 Å) and one longer (2.45 Å) Sn(1)-O(4) bond length. There are six inequivalent O sites. In the first O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Li(3), one B(2), and one Sn(1) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one B(1), and one Sn(1) atom. In the third O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one B(1), and one Sn(1) atom. In the fourth O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one B(1), and one Sn(1) atom. In the fifth O site, O(4) is bonded in a 4-coordinate geometry to one Li(3), one B(2), and two equivalent Sn(1) atoms. In the sixth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one B(2), and one Sn(1) atom.