Li5(YSb2)2 crystallizes in the monoclinic Cm space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 12-coordinate geometry to one Li(3), one Li(4), two equivalent Li(5), one Y(1), one Y(2), one Sb(1), one Sb(4), two equivalent Sb(2), and two equivalent Sb(3) atoms. In the second Li site, Li(2) is bonded in a 13-coordinate geometry to one Li(5), two equivalent Li(3), two equivalent Li(4), one Y(1), one Y(2), one Sb(2), one Sb(3), two equivalent Sb(1), and two equivalent Sb(4) atoms. In the third Li site, Li(3) is bonded to one Li(1), two equivalent Li(2), one Sb(1), one Sb(4), and two equivalent Sb(3) atoms to form distorted LiLi3Sb4 tetrahedra that share corners with three equivalent Y(2)Li2Sb6 octahedra, corners with three equivalent Li(4)Li3Sb4 tetrahedra,  an edgeedge with one Y(1)Li2Sb6 octahedra, edges with two equivalent Y(2)Li2Sb6 octahedra, edges with two equivalent Li(3)Li3Sb4 tetrahedra,  a faceface with one Y(2)Li2Sb6 octahedra, faces with two equivalent Y(1)Li2Sb6 octahedra,  a faceface with one Li(4)Li3Sb4 tetrahedra, and faces with two equivalent Li(5)Li3Sb4 tetrahedra. The corner-sharing octahedral tilt angles are 21°. In the fourth Li site, Li(4) is bonded to one Li(1), two equivalent Li(2), one Sb(1), one Sb(4), and two equivalent Sb(2) atoms to form distorted LiLi3Sb4 tetrahedra that share corners with three equivalent Y(1)Li2Sb6 octahedra, corners with three equivalent Li(3)Li3Sb4 tetrahedra,  an edgeedge with one Y(2)Li2Sb6 octahedra, edges with two equivalent Y(1)Li2Sb6 octahedra, edges with two equivalent Li(4)Li3Sb4 tetrahedra, edges with four equivalent Li(5)Li3Sb4 tetrahedra,  a faceface with one Y(1)Li2Sb6 octahedra, faces with two equivalent Y(2)Li2Sb6 octahedra, and  a faceface with one Li(3)Li3Sb4 tetrahedra. The corner-sharing octahedral tilt angles are 19°. In the fifth Li site, Li(5) is bonded to one Li(2), two equivalent Li(1), one Sb(2), one Sb(3), and two equivalent Sb(1) atoms to form distorted LiLi3Sb4 tetrahedra that share corners with three equivalent Y(2)Li2Sb6 octahedra,  an edgeedge with one Y(1)Li2Sb6 octahedra, edges with two equivalent Y(2)Li2Sb6 octahedra, edges with two equivalent Li(5)Li3Sb4 tetrahedra, edges with four equivalent Li(4)Li3Sb4 tetrahedra,  a faceface with one Y(2)Li2Sb6 octahedra, faces with two equivalent Y(1)Li2Sb6 octahedra, and faces with two equivalent Li(3)Li3Sb4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-18°. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one Li(1), one Li(2), one Sb(1), one Sb(3), two equivalent Sb(2), and two equivalent Sb(4) atoms to form distorted YLi2Sb6 octahedra that share corners with two equivalent Y(2)Li2Sb6 octahedra, corners with three equivalent Li(4)Li3Sb4 tetrahedra, edges with two equivalent Y(1)Li2Sb6 octahedra, edges with four equivalent Y(2)Li2Sb6 octahedra,  an edgeedge with one Li(3)Li3Sb4 tetrahedra,  an edgeedge with one Li(5)Li3Sb4 tetrahedra, edges with two equivalent Li(4)Li3Sb4 tetrahedra,  a faceface with one Li(4)Li3Sb4 tetrahedra, faces with two equivalent Li(3)Li3Sb4 tetrahedra, and faces with two equivalent Li(5)Li3Sb4 tetrahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the second Y site, Y(2) is bonded to one Li(1), one Li(2), one Sb(2), one Sb(4), two equivalent Sb(1), and two equivalent Sb(3) atoms to form distorted YLi2Sb6 octahedra that share corners with two equivalent Y(1)Li2Sb6 octahedra, corners with three equivalent Li(3)Li3Sb4 tetrahedra, corners with three equivalent Li(5)Li3Sb4 tetrahedra, edges with two equivalent Y(2)Li2Sb6 octahedra, edges with four equivalent Y(1)Li2Sb6 octahedra,  an edgeedge with one Li(4)Li3Sb4 tetrahedra, edges with two equivalent Li(3)Li3Sb4 tetrahedra, edges with two equivalent Li(5)Li3Sb4 tetrahedra,  a faceface with one Li(3)Li3Sb4 tetrahedra,  a faceface with one Li(5)Li3Sb4 tetrahedra, and faces with two equivalent Li(4)Li3Sb4 tetrahedra. The corner-sharing octahedral tilt angles range from 4-5°. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 7-coordinate geometry to one Li(1), one Li(3), one Li(4), two equivalent Li(2), two equivalent Li(5), one Y(1), and two equivalent Y(2) atoms. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to one Li(2), one Li(5), two equivalent Li(1), two equivalent Li(4), one Y(2), and two equivalent Y(1) atoms. In the third Sb site, Sb(3) is bonded in a 8-coordinate geometry to one Li(2), one Li(5), two equivalent Li(1), two equivalent Li(3), one Y(1), and two equivalent Y(2) atoms. In the fourth Sb site, Sb(4) is bonded in a 8-coordinate geometry to one Li(1), one Li(3), one Li(4), two equivalent Li(2), one Y(2), and two equivalent Y(1) atoms.
Li5(YSb2)2 crystallizes in the monoclinic Cm space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 12-coordinate geometry to one Li(3), one Li(4), two equivalent Li(5), one Y(1), one Y(2), one Sb(1), one Sb(4), two equivalent Sb(2), and two equivalent Sb(3) atoms. The Li(1)-Li(3) bond length is 2.92 Å. The Li(1)-Li(4) bond length is 2.77 Å. Both Li(1)-Li(5) bond lengths are 2.93 Å. The Li(1)-Y(1) bond length is 3.75 Å. The Li(1)-Y(2) bond length is 3.42 Å. The Li(1)-Sb(1) bond length is 3.38 Å. The Li(1)-Sb(4) bond length is 2.93 Å. Both Li(1)-Sb(2) bond lengths are 3.20 Å. Both Li(1)-Sb(3) bond lengths are 3.09 Å. In the second Li site, Li(2) is bonded in a 13-coordinate geometry to one Li(5), two equivalent Li(3), two equivalent Li(4), one Y(1), one Y(2), one Sb(2), one Sb(3), two equivalent Sb(1), and two equivalent Sb(4) atoms. The Li(2)-Li(5) bond length is 3.00 Å. Both Li(2)-Li(3) bond lengths are 2.86 Å. Both Li(2)-Li(4) bond lengths are 2.80 Å. The Li(2)-Y(1) bond length is 3.43 Å. The Li(2)-Y(2) bond length is 3.69 Å. The Li(2)-Sb(2) bond length is 3.16 Å. The Li(2)-Sb(3) bond length is 3.30 Å. Both Li(2)-Sb(1) bond lengths are 3.29 Å. Both Li(2)-Sb(4) bond lengths are 3.02 Å. In the third Li site, Li(3) is bonded to one Li(1), two equivalent Li(2), one Sb(1), one Sb(4), and two equivalent Sb(3) atoms to form distorted LiLi3Sb4 tetrahedra that share corners with three equivalent Y(2)Li2Sb6 octahedra, corners with three equivalent Li(4)Li3Sb4 tetrahedra,  an edgeedge with one Y(1)Li2Sb6 octahedra, edges with two equivalent Y(2)Li2Sb6 octahedra, edges with two equivalent Li(3)Li3Sb4 tetrahedra,  a faceface with one Y(2)Li2Sb6 octahedra, faces with two equivalent Y(1)Li2Sb6 octahedra,  a faceface with one Li(4)Li3Sb4 tetrahedra, and faces with two equivalent Li(5)Li3Sb4 tetrahedra. The corner-sharing octahedral tilt angles are 21°. The Li(3)-Sb(1) bond length is 2.91 Å. The Li(3)-Sb(4) bond length is 2.73 Å. Both Li(3)-Sb(3) bond lengths are 2.72 Å. In the fourth Li site, Li(4) is bonded to one Li(1), two equivalent Li(2), one Sb(1), one Sb(4), and two equivalent Sb(2) atoms to form distorted LiLi3Sb4 tetrahedra that share corners with three equivalent Y(1)Li2Sb6 octahedra, corners with three equivalent Li(3)Li3Sb4 tetrahedra,  an edgeedge with one Y(2)Li2Sb6 octahedra, edges with two equivalent Y(1)Li2Sb6 octahedra, edges with two equivalent Li(4)Li3Sb4 tetrahedra, edges with four equivalent Li(5)Li3Sb4 tetrahedra,  a faceface with one Y(1)Li2Sb6 octahedra, faces with two equivalent Y(2)Li2Sb6 octahedra, and  a faceface with one Li(3)Li3Sb4 tetrahedra. The corner-sharing octahedral tilt angles are 19°. The Li(4)-Sb(1) bond length is 2.69 Å. The Li(4)-Sb(4) bond length is 2.85 Å. Both Li(4)-Sb(2) bond lengths are 2.71 Å. In the fifth Li site, Li(5) is bonded to one Li(2), two equivalent Li(1), one Sb(2), one Sb(3), and two equivalent Sb(1) atoms to form distorted LiLi3Sb4 tetrahedra that share corners with three equivalent Y(2)Li2Sb6 octahedra,  an edgeedge with one Y(1)Li2Sb6 octahedra, edges with two equivalent Y(2)Li2Sb6 octahedra, edges with two equivalent Li(5)Li3Sb4 tetrahedra, edges with four equivalent Li(4)Li3Sb4 tetrahedra,  a faceface with one Y(2)Li2Sb6 octahedra, faces with two equivalent Y(1)Li2Sb6 octahedra, and faces with two equivalent Li(3)Li3Sb4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-18°. The Li(5)-Sb(2) bond length is 2.71 Å. The Li(5)-Sb(3) bond length is 2.83 Å. Both Li(5)-Sb(1) bond lengths are 2.70 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one Li(1), one Li(2), one Sb(1), one Sb(3), two equivalent Sb(2), and two equivalent Sb(4) atoms to form distorted YLi2Sb6 octahedra that share corners with two equivalent Y(2)Li2Sb6 octahedra, corners with three equivalent Li(4)Li3Sb4 tetrahedra, edges with two equivalent Y(1)Li2Sb6 octahedra, edges with four equivalent Y(2)Li2Sb6 octahedra,  an edgeedge with one Li(3)Li3Sb4 tetrahedra,  an edgeedge with one Li(5)Li3Sb4 tetrahedra, edges with two equivalent Li(4)Li3Sb4 tetrahedra,  a faceface with one Li(4)Li3Sb4 tetrahedra, faces with two equivalent Li(3)Li3Sb4 tetrahedra, and faces with two equivalent Li(5)Li3Sb4 tetrahedra. The corner-sharing octahedral tilt angles range from 4-5°. The Y(1)-Sb(1) bond length is 3.16 Å. The Y(1)-Sb(3) bond length is 3.20 Å. Both Y(1)-Sb(2) bond lengths are 3.14 Å. Both Y(1)-Sb(4) bond lengths are 3.18 Å. In the second Y site, Y(2) is bonded to one Li(1), one Li(2), one Sb(2), one Sb(4), two equivalent Sb(1), and two equivalent Sb(3) atoms to form distorted YLi2Sb6 octahedra that share corners with two equivalent Y(1)Li2Sb6 octahedra, corners with three equivalent Li(3)Li3Sb4 tetrahedra, corners with three equivalent Li(5)Li3Sb4 tetrahedra, edges with two equivalent Y(2)Li2Sb6 octahedra, edges with four equivalent Y(1)Li2Sb6 octahedra,  an edgeedge with one Li(4)Li3Sb4 tetrahedra, edges with two equivalent Li(3)Li3Sb4 tetrahedra, edges with two equivalent Li(5)Li3Sb4 tetrahedra,  a faceface with one Li(3)Li3Sb4 tetrahedra,  a faceface with one Li(5)Li3Sb4 tetrahedra, and faces with two equivalent Li(4)Li3Sb4 tetrahedra. The corner-sharing octahedral tilt angles range from 4-5°. The Y(2)-Sb(2) bond length is 3.14 Å. The Y(2)-Sb(4) bond length is 3.12 Å. Both Y(2)-Sb(1) bond lengths are 3.15 Å. Both Y(2)-Sb(3) bond lengths are 3.13 Å. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 7-coordinate geometry to one Li(1), one Li(3), one Li(4), two equivalent Li(2), two equivalent Li(5), one Y(1), and two equivalent Y(2) atoms. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to one Li(2), one Li(5), two equivalent Li(1), two equivalent Li(4), one Y(2), and two equivalent Y(1) atoms. In the third Sb site, Sb(3) is bonded in a 8-coordinate geometry to one Li(2), one Li(5), two equivalent Li(1), two equivalent Li(3), one Y(1), and two equivalent Y(2) atoms. In the fourth Sb site, Sb(4) is bonded in a 8-coordinate geometry to one Li(1), one Li(3), one Li(4), two equivalent Li(2), one Y(2), and two equivalent Y(1) atoms.