Li4Mn3SbO8 is Caswellsilverite-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(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)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 corner-sharing octahedral tilt angles range from 1-3°. In the second Li site, Li(2) 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(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)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 corner-sharing octahedral tilt angles range from 7-14°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), 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 Li(2)O6 octahedra, edges with two equivalent Li(4)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 2-7°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form LiO6 octahedra that share corners with six equivalent Mn(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)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 7-14°. There are three inequivalent Mn sites. In the first Mn site, Mn(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 MnO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)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 corner-sharing octahedral tilt angles range from 7-14°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)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 2-7°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with six equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)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 7-14°. Sb(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form SbO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)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 corner-sharing octahedral tilt angles range from 1-3°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Li(4), one Mn(1), one Mn(2), and one Mn(3) atom to form distorted OLi3Mn3 octahedra that share corners with six equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(3)Li3Mn2Sb octahedra, edges with two equivalent O(4)Li3Mn2Sb octahedra, edges with two equivalent O(5)Li3Mn2Sb octahedra, edges with two equivalent O(6)Li3Mn2Sb octahedra, edges with two equivalent O(7)Li3Mn2Sb octahedra, and edges with two equivalent O(8)Li3Mn2Sb octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Li(4), one Mn(1), one Mn(2), and one Mn(3) atom to form OLi3Mn3 octahedra that share corners with six equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(3)Li3Mn2Sb octahedra, edges with two equivalent O(4)Li3Mn2Sb octahedra, edges with two equivalent O(5)Li3Mn2Sb octahedra, edges with two equivalent O(6)Li3Mn2Sb octahedra, edges with two equivalent O(7)Li3Mn2Sb octahedra, and edges with two equivalent O(8)Li3Mn2Sb octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Li(4), one Mn(2), one Mn(3), and one Sb(1) atom to form OLi3Mn2Sb octahedra that share corners with six equivalent O(6)Li3Mn2Sb octahedra, edges with two equivalent O(4)Li3Mn2Sb octahedra, edges with two equivalent O(5)Li3Mn2Sb octahedra, edges with two equivalent O(7)Li3Mn2Sb octahedra, edges with two equivalent O(8)Li3Mn2Sb octahedra, edges with two equivalent O(1)Li3Mn3 octahedra, and edges with two equivalent O(2)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(4), one Mn(1), one Mn(3), and one Sb(1) atom to form OLi3Mn2Sb octahedra that share corners with six equivalent O(7)Li3Mn2Sb octahedra, edges with two equivalent O(3)Li3Mn2Sb octahedra, edges with two equivalent O(5)Li3Mn2Sb octahedra, edges with two equivalent O(6)Li3Mn2Sb octahedra, edges with two equivalent O(8)Li3Mn2Sb octahedra, edges with two equivalent O(1)Li3Mn3 octahedra, and edges with two equivalent O(2)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), one Mn(1), one Mn(2), and one Sb(1) atom to form OLi3Mn2Sb octahedra that share corners with six equivalent O(8)Li3Mn2Sb octahedra, edges with two equivalent O(3)Li3Mn2Sb octahedra, edges with two equivalent O(4)Li3Mn2Sb octahedra, edges with two equivalent O(6)Li3Mn2Sb octahedra, edges with two equivalent O(7)Li3Mn2Sb octahedra, edges with two equivalent O(1)Li3Mn3 octahedra, and edges with two equivalent O(2)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Li(4), one Mn(2), one Mn(3), and one Sb(1) atom to form OLi3Mn2Sb octahedra that share corners with six equivalent O(3)Li3Mn2Sb octahedra, edges with two equivalent O(4)Li3Mn2Sb octahedra, edges with two equivalent O(5)Li3Mn2Sb octahedra, edges with two equivalent O(7)Li3Mn2Sb octahedra, edges with two equivalent O(8)Li3Mn2Sb octahedra, edges with two equivalent O(1)Li3Mn3 octahedra, and edges with two equivalent O(2)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(4), one Mn(1), one Mn(3), and one Sb(1) atom to form OLi3Mn2Sb octahedra that share corners with six equivalent O(4)Li3Mn2Sb octahedra, edges with two equivalent O(3)Li3Mn2Sb octahedra, edges with two equivalent O(5)Li3Mn2Sb octahedra, edges with two equivalent O(6)Li3Mn2Sb octahedra, edges with two equivalent O(8)Li3Mn2Sb octahedra, edges with two equivalent O(1)Li3Mn3 octahedra, and edges with two equivalent O(2)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Li(3), one Mn(1), one Mn(2), and one Sb(1) atom to form OLi3Mn2Sb octahedra that share corners with six equivalent O(5)Li3Mn2Sb octahedra, edges with two equivalent O(3)Li3Mn2Sb octahedra, edges with two equivalent O(4)Li3Mn2Sb octahedra, edges with two equivalent O(6)Li3Mn2Sb octahedra, edges with two equivalent O(7)Li3Mn2Sb octahedra, edges with two equivalent O(1)Li3Mn3 octahedra, and edges with two equivalent O(2)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°.
Li4Mn3SbO8 is Caswellsilverite-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(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)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 corner-sharing octahedral tilt angles range from 1-3°. The Li(1)-O(3) bond length is 2.35 Å. The Li(1)-O(4) bond length is 2.38 Å. The Li(1)-O(5) bond length is 2.29 Å. The Li(1)-O(6) bond length is 2.29 Å. The Li(1)-O(7) bond length is 2.32 Å. The Li(1)-O(8) bond length is 2.32 Å. In the second Li site, Li(2) 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(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)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 corner-sharing octahedral tilt angles range from 7-14°. The Li(2)-O(1) bond length is 2.22 Å. The Li(2)-O(2) bond length is 2.23 Å. The Li(2)-O(4) bond length is 2.16 Å. The Li(2)-O(5) bond length is 2.15 Å. The Li(2)-O(7) bond length is 2.16 Å. The Li(2)-O(8) bond length is 2.15 Å. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), 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 Li(2)O6 octahedra, edges with two equivalent Li(4)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 2-7°. The Li(3)-O(1) bond length is 2.45 Å. The Li(3)-O(2) bond length is 2.44 Å. The Li(3)-O(3) bond length is 2.16 Å. The Li(3)-O(5) bond length is 2.19 Å. The Li(3)-O(6) bond length is 2.16 Å. The Li(3)-O(8) bond length is 2.19 Å. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form LiO6 octahedra that share corners with six equivalent Mn(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)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 7-14°. The Li(4)-O(1) bond length is 2.23 Å. The Li(4)-O(2) bond length is 2.19 Å. The Li(4)-O(3) bond length is 2.15 Å. The Li(4)-O(4) bond length is 2.16 Å. The Li(4)-O(6) bond length is 2.16 Å. The Li(4)-O(7) bond length is 2.18 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(4), one O(5), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)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 corner-sharing octahedral tilt angles range from 7-14°. The Mn(1)-O(1) bond length is 2.17 Å. The Mn(1)-O(2) bond length is 2.17 Å. The Mn(1)-O(4) bond length is 2.20 Å. The Mn(1)-O(5) bond length is 2.23 Å. The Mn(1)-O(7) bond length is 2.21 Å. The Mn(1)-O(8) bond length is 2.23 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)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 2-7°. The Mn(2)-O(1) bond length is 1.93 Å. The Mn(2)-O(2) bond length is 1.93 Å. The Mn(2)-O(3) bond length is 2.20 Å. The Mn(2)-O(5) bond length is 2.19 Å. The Mn(2)-O(6) bond length is 2.20 Å. The Mn(2)-O(8) bond length is 2.18 Å. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with six equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)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 7-14°. The Mn(3)-O(1) bond length is 2.18 Å. The Mn(3)-O(2) bond length is 2.16 Å. The Mn(3)-O(3) bond length is 2.21 Å. The Mn(3)-O(4) bond length is 2.20 Å. The Mn(3)-O(6) bond length is 2.24 Å. The Mn(3)-O(7) bond length is 2.21 Å. Sb(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form SbO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)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 corner-sharing octahedral tilt angles range from 1-3°. The Sb(1)-O(3) bond length is 2.05 Å. The Sb(1)-O(4) bond length is 2.02 Å. The Sb(1)-O(5) bond length is 2.05 Å. The Sb(1)-O(6) bond length is 2.04 Å. The Sb(1)-O(7) bond length is 2.02 Å. The Sb(1)-O(8) bond length is 2.05 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Li(4), one Mn(1), one Mn(2), and one Mn(3) atom to form distorted OLi3Mn3 octahedra that share corners with six equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(3)Li3Mn2Sb octahedra, edges with two equivalent O(4)Li3Mn2Sb octahedra, edges with two equivalent O(5)Li3Mn2Sb octahedra, edges with two equivalent O(6)Li3Mn2Sb octahedra, edges with two equivalent O(7)Li3Mn2Sb octahedra, and edges with two equivalent O(8)Li3Mn2Sb octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Li(4), one Mn(1), one Mn(2), and one Mn(3) atom to form OLi3Mn3 octahedra that share corners with six equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(3)Li3Mn2Sb octahedra, edges with two equivalent O(4)Li3Mn2Sb octahedra, edges with two equivalent O(5)Li3Mn2Sb octahedra, edges with two equivalent O(6)Li3Mn2Sb octahedra, edges with two equivalent O(7)Li3Mn2Sb octahedra, and edges with two equivalent O(8)Li3Mn2Sb octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Li(4), one Mn(2), one Mn(3), and one Sb(1) atom to form OLi3Mn2Sb octahedra that share corners with six equivalent O(6)Li3Mn2Sb octahedra, edges with two equivalent O(4)Li3Mn2Sb octahedra, edges with two equivalent O(5)Li3Mn2Sb octahedra, edges with two equivalent O(7)Li3Mn2Sb octahedra, edges with two equivalent O(8)Li3Mn2Sb octahedra, edges with two equivalent O(1)Li3Mn3 octahedra, and edges with two equivalent O(2)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(4), one Mn(1), one Mn(3), and one Sb(1) atom to form OLi3Mn2Sb octahedra that share corners with six equivalent O(7)Li3Mn2Sb octahedra, edges with two equivalent O(3)Li3Mn2Sb octahedra, edges with two equivalent O(5)Li3Mn2Sb octahedra, edges with two equivalent O(6)Li3Mn2Sb octahedra, edges with two equivalent O(8)Li3Mn2Sb octahedra, edges with two equivalent O(1)Li3Mn3 octahedra, and edges with two equivalent O(2)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), one Mn(1), one Mn(2), and one Sb(1) atom to form OLi3Mn2Sb octahedra that share corners with six equivalent O(8)Li3Mn2Sb octahedra, edges with two equivalent O(3)Li3Mn2Sb octahedra, edges with two equivalent O(4)Li3Mn2Sb octahedra, edges with two equivalent O(6)Li3Mn2Sb octahedra, edges with two equivalent O(7)Li3Mn2Sb octahedra, edges with two equivalent O(1)Li3Mn3 octahedra, and edges with two equivalent O(2)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Li(4), one Mn(2), one Mn(3), and one Sb(1) atom to form OLi3Mn2Sb octahedra that share corners with six equivalent O(3)Li3Mn2Sb octahedra, edges with two equivalent O(4)Li3Mn2Sb octahedra, edges with two equivalent O(5)Li3Mn2Sb octahedra, edges with two equivalent O(7)Li3Mn2Sb octahedra, edges with two equivalent O(8)Li3Mn2Sb octahedra, edges with two equivalent O(1)Li3Mn3 octahedra, and edges with two equivalent O(2)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(4), one Mn(1), one Mn(3), and one Sb(1) atom to form OLi3Mn2Sb octahedra that share corners with six equivalent O(4)Li3Mn2Sb octahedra, edges with two equivalent O(3)Li3Mn2Sb octahedra, edges with two equivalent O(5)Li3Mn2Sb octahedra, edges with two equivalent O(6)Li3Mn2Sb octahedra, edges with two equivalent O(8)Li3Mn2Sb octahedra, edges with two equivalent O(1)Li3Mn3 octahedra, and edges with two equivalent O(2)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Li(3), one Mn(1), one Mn(2), and one Sb(1) atom to form OLi3Mn2Sb octahedra that share corners with six equivalent O(5)Li3Mn2Sb octahedra, edges with two equivalent O(3)Li3Mn2Sb octahedra, edges with two equivalent O(4)Li3Mn2Sb octahedra, edges with two equivalent O(6)Li3Mn2Sb octahedra, edges with two equivalent O(7)Li3Mn2Sb octahedra, edges with two equivalent O(1)Li3Mn3 octahedra, and edges with two equivalent O(2)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°.