Li2Mn3SbO8 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with six equivalent Mn(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-19°. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form LiO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-17°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form distorted MnO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-17°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form distorted MnO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-19°. Sb(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form SbO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(2), and one Mn(3) atom to form distorted OLi2Mn3 square pyramids that share corners with five equivalent O(8)Li2Mn3 square pyramids, edges with two equivalent O(4)Li2Mn2Sb square pyramids, and edges with two equivalent O(5)Li2Mn2Sb square pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(3), and one Sb(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(2), and one Sb(1) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Mn(2), one Mn(3), and one Sb(1) atom to form OLi2Mn2Sb square pyramids that share corners with five equivalent O(5)Li2Mn2Sb square pyramids, edges with two equivalent O(1)Li2Mn3 square pyramids, and edges with two equivalent O(8)Li2Mn3 square pyramids. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Mn(2), one Mn(3), and one Sb(1) atom to form OLi2Mn2Sb square pyramids that share corners with five equivalent O(4)Li2Mn2Sb square pyramids, edges with two equivalent O(1)Li2Mn3 square pyramids, and edges with two equivalent O(8)Li2Mn3 square pyramids. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(2), and one Sb(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(3), and one Sb(1) atom. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(2), and one Mn(3) atom to form distorted OLi2Mn3 square pyramids that share corners with five equivalent O(1)Li2Mn3 square pyramids, edges with two equivalent O(4)Li2Mn2Sb square pyramids, and edges with two equivalent O(5)Li2Mn2Sb square pyramids.
Li2Mn3SbO8 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with six equivalent Mn(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-19°. The Li(1)-O(1) bond length is 2.18 Å. The Li(1)-O(2) bond length is 2.21 Å. The Li(1)-O(4) bond length is 2.16 Å. The Li(1)-O(5) bond length is 2.16 Å. The Li(1)-O(7) bond length is 2.20 Å. The Li(1)-O(8) bond length is 2.18 Å. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form LiO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-17°. The Li(2)-O(1) bond length is 2.36 Å. The Li(2)-O(3) bond length is 2.05 Å. The Li(2)-O(4) bond length is 2.31 Å. The Li(2)-O(5) bond length is 2.32 Å. The Li(2)-O(6) bond length is 2.05 Å. The Li(2)-O(8) bond length is 2.36 Å. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The Mn(1)-O(1) bond length is 1.95 Å. The Mn(1)-O(2) bond length is 1.97 Å. The Mn(1)-O(3) bond length is 1.98 Å. The Mn(1)-O(6) bond length is 1.98 Å. The Mn(1)-O(7) bond length is 1.97 Å. The Mn(1)-O(8) bond length is 1.95 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form distorted MnO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-17°. The Mn(2)-O(1) bond length is 1.97 Å. The Mn(2)-O(3) bond length is 2.45 Å. The Mn(2)-O(4) bond length is 1.99 Å. The Mn(2)-O(5) bond length is 1.99 Å. The Mn(2)-O(6) bond length is 2.45 Å. The Mn(2)-O(8) bond length is 1.97 Å. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form distorted MnO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-19°. The Mn(3)-O(1) bond length is 2.16 Å. The Mn(3)-O(2) bond length is 2.30 Å. The Mn(3)-O(4) bond length is 2.17 Å. The Mn(3)-O(5) bond length is 2.17 Å. The Mn(3)-O(7) bond length is 2.29 Å. The Mn(3)-O(8) bond length is 2.16 Å. Sb(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form SbO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The Sb(1)-O(2) bond length is 2.02 Å. The Sb(1)-O(3) bond length is 2.02 Å. The Sb(1)-O(4) bond length is 2.02 Å. The Sb(1)-O(5) bond length is 2.02 Å. The Sb(1)-O(6) bond length is 2.02 Å. The Sb(1)-O(7) bond length is 2.02 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(2), and one Mn(3) atom to form distorted OLi2Mn3 square pyramids that share corners with five equivalent O(8)Li2Mn3 square pyramids, edges with two equivalent O(4)Li2Mn2Sb square pyramids, and edges with two equivalent O(5)Li2Mn2Sb square pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(3), and one Sb(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(2), and one Sb(1) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Mn(2), one Mn(3), and one Sb(1) atom to form OLi2Mn2Sb square pyramids that share corners with five equivalent O(5)Li2Mn2Sb square pyramids, edges with two equivalent O(1)Li2Mn3 square pyramids, and edges with two equivalent O(8)Li2Mn3 square pyramids. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Mn(2), one Mn(3), and one Sb(1) atom to form OLi2Mn2Sb square pyramids that share corners with five equivalent O(4)Li2Mn2Sb square pyramids, edges with two equivalent O(1)Li2Mn3 square pyramids, and edges with two equivalent O(8)Li2Mn3 square pyramids. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(2), and one Sb(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(3), and one Sb(1) atom. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(2), and one Mn(3) atom to form distorted OLi2Mn3 square pyramids that share corners with five equivalent O(1)Li2Mn3 square pyramids, edges with two equivalent O(4)Li2Mn2Sb square pyramids, and edges with two equivalent O(5)Li2Mn2Sb square pyramids.