Li4Nb3Mn3(SbO8)2 is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, and corners with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-65°. In the second Li site, Li(2) is bonded to one O(14), one O(16), one O(5), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(4), and one O(6) atom. In the fourth Li site, Li(4) is bonded to one O(13), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-68°. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form NbO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the second Nb site, Nb(2) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) atom to form NbO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, edges with two equivalent Nb(3)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. In the third Nb site, Nb(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) atom to form NbO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, edges with two equivalent Nb(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the second Mn site, Mn(2) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the third Mn site, Mn(3) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, edges with two equivalent Nb(2)O6 octahedra, and edges with two equivalent Nb(3)O6 octahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom. In the second Sb site, Sb(2) is bonded in a distorted trigonal non-coplanar geometry to one O(14), one O(16), and one O(9) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Nb(2), one Mn(3), and one Sb(1) atom. In the second O site, O(2) is bonded to one Li(4), one Mn(1), one Mn(2), and one Sb(1) atom to form corner-sharing OLiMn2Sb tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Nb(1), one Mn(1), and one Mn(2) atom. In the fourth O site, O(4) is bonded to one Li(3), one Nb(1), one Mn(1), and one Mn(2) atom to form corner-sharing OLiMn2Nb tetrahedra. In the fifth O site, O(5) is bonded in a distorted trigonal pyramidal geometry to one Li(2), one Nb(2), one Nb(3), and one Mn(3) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one Nb(3), one Mn(3), and one Sb(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Nb(1), one Mn(1), and one Sb(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(4), one Nb(1), one Mn(2), and one Sb(1) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(2), and one Sb(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(3), one Nb(2), one Nb(3), and one Sb(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Nb(2), and one Mn(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(1), one Nb(3), and one Mn(3) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one Nb(2), one Nb(3), and one Mn(3) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(1), one Mn(1), and one Sb(2) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(1), one Nb(2), and one Nb(3) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(1), one Mn(2), and one Sb(2) atom.
Li4Nb3Mn3(SbO8)2 is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, and corners with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-65°. The Li(1)-O(11) bond length is 2.05 Å. The Li(1)-O(12) bond length is 2.03 Å. The Li(1)-O(15) bond length is 2.13 Å. The Li(1)-O(3) bond length is 2.43 Å. In the second Li site, Li(2) is bonded to one O(14), one O(16), one O(5), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. The Li(2)-O(14) bond length is 2.07 Å. The Li(2)-O(16) bond length is 2.06 Å. The Li(2)-O(5) bond length is 1.96 Å. The Li(2)-O(9) bond length is 2.09 Å. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(4), and one O(6) atom. The Li(3)-O(1) bond length is 1.99 Å. The Li(3)-O(10) bond length is 1.99 Å. The Li(3)-O(4) bond length is 1.91 Å. The Li(3)-O(6) bond length is 2.01 Å. In the fourth Li site, Li(4) is bonded to one O(13), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-68°. The Li(4)-O(13) bond length is 2.25 Å. The Li(4)-O(2) bond length is 2.07 Å. The Li(4)-O(7) bond length is 2.02 Å. The Li(4)-O(8) bond length is 2.00 Å. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form NbO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The Nb(1)-O(14) bond length is 2.21 Å. The Nb(1)-O(16) bond length is 2.24 Å. The Nb(1)-O(3) bond length is 2.06 Å. The Nb(1)-O(4) bond length is 2.06 Å. The Nb(1)-O(7) bond length is 1.89 Å. The Nb(1)-O(8) bond length is 1.89 Å. In the second Nb site, Nb(2) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) atom to form NbO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, edges with two equivalent Nb(3)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The Nb(2)-O(1) bond length is 2.15 Å. The Nb(2)-O(10) bond length is 2.02 Å. The Nb(2)-O(11) bond length is 1.88 Å. The Nb(2)-O(13) bond length is 2.04 Å. The Nb(2)-O(15) bond length is 2.04 Å. The Nb(2)-O(5) bond length is 2.09 Å. In the third Nb site, Nb(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) atom to form NbO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, edges with two equivalent Nb(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The Nb(3)-O(10) bond length is 2.00 Å. The Nb(3)-O(12) bond length is 1.89 Å. The Nb(3)-O(13) bond length is 2.05 Å. The Nb(3)-O(15) bond length is 2.06 Å. The Nb(3)-O(5) bond length is 2.08 Å. The Nb(3)-O(6) bond length is 2.14 Å. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The Mn(1)-O(14) bond length is 2.28 Å. The Mn(1)-O(2) bond length is 2.05 Å. The Mn(1)-O(3) bond length is 1.99 Å. The Mn(1)-O(4) bond length is 1.95 Å. The Mn(1)-O(7) bond length is 2.42 Å. The Mn(1)-O(9) bond length is 2.01 Å. In the second Mn site, Mn(2) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The Mn(2)-O(16) bond length is 2.21 Å. The Mn(2)-O(2) bond length is 2.21 Å. The Mn(2)-O(3) bond length is 2.21 Å. The Mn(2)-O(4) bond length is 2.16 Å. The Mn(2)-O(8) bond length is 2.30 Å. The Mn(2)-O(9) bond length is 2.18 Å. In the third Mn site, Mn(3) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, edges with two equivalent Nb(2)O6 octahedra, and edges with two equivalent Nb(3)O6 octahedra. The Mn(3)-O(1) bond length is 2.20 Å. The Mn(3)-O(11) bond length is 2.22 Å. The Mn(3)-O(12) bond length is 2.19 Å. The Mn(3)-O(13) bond length is 2.30 Å. The Mn(3)-O(5) bond length is 2.23 Å. The Mn(3)-O(6) bond length is 2.21 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom. The Sb(1)-O(1) bond length is 2.08 Å. The Sb(1)-O(10) bond length is 2.68 Å. The Sb(1)-O(2) bond length is 2.07 Å. The Sb(1)-O(6) bond length is 2.09 Å. The Sb(1)-O(7) bond length is 2.60 Å. The Sb(1)-O(8) bond length is 2.61 Å. In the second Sb site, Sb(2) is bonded in a distorted trigonal non-coplanar geometry to one O(14), one O(16), and one O(9) atom. The Sb(2)-O(14) bond length is 2.07 Å. The Sb(2)-O(16) bond length is 2.04 Å. The Sb(2)-O(9) bond length is 2.08 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Nb(2), one Mn(3), and one Sb(1) atom. In the second O site, O(2) is bonded to one Li(4), one Mn(1), one Mn(2), and one Sb(1) atom to form corner-sharing OLiMn2Sb tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Nb(1), one Mn(1), and one Mn(2) atom. In the fourth O site, O(4) is bonded to one Li(3), one Nb(1), one Mn(1), and one Mn(2) atom to form corner-sharing OLiMn2Nb tetrahedra. In the fifth O site, O(5) is bonded in a distorted trigonal pyramidal geometry to one Li(2), one Nb(2), one Nb(3), and one Mn(3) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one Nb(3), one Mn(3), and one Sb(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Nb(1), one Mn(1), and one Sb(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(4), one Nb(1), one Mn(2), and one Sb(1) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(2), and one Sb(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(3), one Nb(2), one Nb(3), and one Sb(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Nb(2), and one Mn(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(1), one Nb(3), and one Mn(3) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one Nb(2), one Nb(3), and one Mn(3) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(1), one Mn(1), and one Sb(2) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(1), one Nb(2), and one Nb(3) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(1), one Mn(2), and one Sb(2) atom.