The material described by Li13Mn2O9 crystallizes in the triclinic P1 space group. There are twenty-six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(11), one O(17), and one O(2) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(19)O4 tetrahedra,  a cornercorner with one Li(21)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra,  a cornercorner with one Mn(1)O4 tetrahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Li(13)O4 tetrahedra,  a cornercorner with one Mn(4)O4 trigonal pyramid,  an edgeedge with one Li(18)O4 tetrahedra,  an edgeedge with one Li(25)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra, and  an edgeedge with one Mn(2)O4 trigonal pyramid. In the second Li site, Li(2) is bonded to one O(1), one O(12), one O(18), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(16)O4 tetrahedra,  a cornercorner with one Li(20)O4 tetrahedra,  a cornercorner with one Li(22)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Mn(3)O4 tetrahedra, corners with two equivalent Li(14)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra,  a cornercorner with one Mn(2)O4 trigonal pyramid,  an edgeedge with one Li(17)O4 tetrahedra,  an edgeedge with one Li(26)O4 tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra, and  an edgeedge with one Mn(4)O4 trigonal pyramid. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(1), one O(14), one O(16), and one O(3) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(13), one O(15), one O(2), and one O(4) atom. In the fifth Li site, Li(5) is bonded to one O(11), one O(18), one O(4), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(17)O4 tetrahedra,  a cornercorner with one Li(26)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra,  a cornercorner with one Mn(1)O4 tetrahedra,  a cornercorner with one Mn(4)O4 trigonal pyramid, corners with two equivalent Mn(2)O4 trigonal pyramids,  an edgeedge with one Li(13)O4 tetrahedra,  an edgeedge with one Li(15)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(9)O4 tetrahedra. In the sixth Li site, Li(6) is bonded to one O(10), one O(12), one O(17), and one O(3) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(18)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(25)O4 tetrahedra,  a cornercorner with one Mn(3)O4 tetrahedra,  a cornercorner with one Mn(2)O4 trigonal pyramid, corners with two equivalent Mn(4)O4 trigonal pyramids,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(10)O4 tetrahedra,  an edgeedge with one Li(14)O4 tetrahedra, and  an edgeedge with one Li(16)O4 tetrahedra. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to one O(12), one O(15), one O(18), and one O(9) atom. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(10), one O(11), one O(16), and one O(17) atom. In the ninth Li site, Li(9) is bonded to one O(11), one O(18), one O(5), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(19)O4 tetrahedra,  a cornercorner with one Li(22)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Mn(3)O4 tetrahedra, corners with two equivalent Li(13)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  a cornercorner with one Mn(4)O4 trigonal pyramid,  an edgeedge with one Li(17)O4 tetrahedra,  an edgeedge with one Li(26)O4 tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra, and  an edgeedge with one Mn(2)O4 trigonal pyramid. In the tenth Li site, Li(10) is bonded to one O(10), one O(12), one O(17), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(16)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(20)O4 tetrahedra,  a cornercorner with one Li(21)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Mn(1)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(14)O4 tetrahedra,  a cornercorner with one Mn(2)O4 trigonal pyramid,  an edgeedge with one Li(18)O4 tetrahedra,  an edgeedge with one Li(25)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra, and  an edgeedge with one Mn(4)O4 trigonal pyramid. In the eleventh Li site, Li(11) is bonded in a 4-coordinate geometry to one O(13), one O(16), one O(3), and one O(5) atom. In the twelfth Li site, Li(12) is bonded in a 4-coordinate geometry to one O(14), one O(15), one O(4), and one O(6) atom. In the thirteenth Li site, Li(13) is bonded to one O(11), one O(17), one O(7), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(19)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(21)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Mn(3)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra,  a cornercorner with one Mn(2)O4 trigonal pyramid,  an edgeedge with one Li(17)O4 tetrahedra,  an edgeedge with one Li(25)O4 tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra, and  an edgeedge with one Mn(2)O4 trigonal pyramid. In the fourteenth Li site, Li(14) is bonded to one O(10), one O(12), one O(18), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(16)O4 tetrahedra,  a cornercorner with one Li(20)O4 tetrahedra,  a cornercorner with one Li(22)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra,  a cornercorner with one Mn(1)O4 tetrahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  a cornercorner with one Mn(4)O4 trigonal pyramid,  an edgeedge with one Li(18)O4 tetrahedra,  an edgeedge with one Li(26)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra, and  an edgeedge with one Mn(4)O4 trigonal pyramid. In the fifteenth Li site, Li(15) is bonded to one O(11), one O(14), one O(16), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(20)O4 tetrahedra,  a cornercorner with one Li(22)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra,  a cornercorner with one Mn(1)O4 tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra, and  an edgeedge with one Mn(2)O4 trigonal pyramid. In the sixteenth Li site, Li(16) is bonded to one O(12), one O(13), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(19)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(21)O4 tetrahedra,  a cornercorner with one Mn(3)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra, and  an edgeedge with one Mn(4)O4 trigonal pyramid. In the seventeenth Li site, Li(17) is bonded to one O(1), one O(5), one O(7), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(20)O4 tetrahedra,  a cornercorner with one Li(21)O4 tetrahedra,  a cornercorner with one Li(25)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Mn(3)O4 tetrahedra, corners with two equivalent Li(26)O4 tetrahedra,  a cornercorner with one Mn(2)O4 trigonal pyramid,  an edgeedge with one Li(13)O4 tetrahedra,  an edgeedge with one Li(19)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(22)O4 tetrahedra,  an edgeedge with one Li(9)O4 tetrahedra, and  an edgeedge with one Mn(3)O4 tetrahedra. In the eighteenth Li site, Li(18) is bonded to one O(10), one O(2), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(19)O4 tetrahedra,  a cornercorner with one Li(22)O4 tetrahedra,  a cornercorner with one Li(26)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Mn(1)O4 tetrahedra, corners with two equivalent Li(25)O4 tetrahedra,  a cornercorner with one Mn(4)O4 trigonal pyramid,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(10)O4 tetrahedra,  an edgeedge with one Li(14)O4 tetrahedra,  an edgeedge with one Li(20)O4 tetrahedra,  an edgeedge with one Li(21)O4 tetrahedra, and  an edgeedge with one Mn(1)O4 tetrahedra. In the nineteenth Li site, Li(19) is bonded to one O(13), one O(2), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(16)O4 tetrahedra,  a cornercorner with one Li(18)O4 tetrahedra,  a cornercorner with one Li(22)O4 tetrahedra,  a cornercorner with one Li(26)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra,  a cornercorner with one Mn(1)O4 tetrahedra, corners with two equivalent Li(21)O4 tetrahedra, corners with two equivalent Mn(3)O4 tetrahedra,  a cornercorner with one Mn(4)O4 trigonal pyramid,  an edgeedge with one Li(17)O4 tetrahedra, and  an edgeedge with one Li(25)O4 tetrahedra. In the twentieth Li site, Li(20) is bonded to one O(1), one O(14), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(17)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(21)O4 tetrahedra,  a cornercorner with one Li(25)O4 tetrahedra,  a cornercorner with one Mn(3)O4 tetrahedra, corners with two equivalent Li(22)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra,  a cornercorner with one Mn(2)O4 trigonal pyramid,  an edgeedge with one Li(18)O4 tetrahedra, and  an edgeedge with one Li(26)O4 tetrahedra. In the twenty-first Li site, Li(21) is bonded to one O(15), one O(2), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(16)O4 tetrahedra,  a cornercorner with one Li(17)O4 tetrahedra,  a cornercorner with one Li(20)O4 tetrahedra,  a cornercorner with one Li(25)O4 tetrahedra,  a cornercorner with one Mn(3)O4 tetrahedra, corners with two equivalent Li(19)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra,  an edgeedge with one Li(18)O4 tetrahedra, and  an edgeedge with one Li(25)O4 tetrahedra. In the twenty-second Li site, Li(22) is bonded to one O(1), one O(16), one O(5), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(18)O4 tetrahedra,  a cornercorner with one Li(19)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(26)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra,  a cornercorner with one Mn(1)O4 tetrahedra, corners with two equivalent Li(20)O4 tetrahedra, corners with two equivalent Mn(3)O4 tetrahedra,  an edgeedge with one Li(17)O4 tetrahedra, and  an edgeedge with one Li(26)O4 tetrahedra. In the twenty-third Li site, Li(23) is bonded in a 4-coordinate geometry to one O(13), one O(15), one O(3), and one O(7) atom. In the twenty-fourth Li site, Li(24) is bonded in a 4-coordinate geometry to one O(14), one O(16), one O(4), and one O(8) atom. In the twenty-fifth Li site, Li(25) is bonded to one O(17), one O(2), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(17)O4 tetrahedra,  a cornercorner with one Li(20)O4 tetrahedra,  a cornercorner with one Li(21)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Mn(3)O4 tetrahedra, corners with two equivalent Li(18)O4 tetrahedra,  a cornercorner with one Mn(2)O4 trigonal pyramid,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(10)O4 tetrahedra,  an edgeedge with one Li(13)O4 tetrahedra,  an edgeedge with one Li(19)O4 tetrahedra,  an edgeedge with one Li(21)O4 tetrahedra, and  an edgeedge with one Mn(1)O4 tetrahedra. In the twenty-sixth Li site, Li(26) is bonded to one O(1), one O(18), one O(5), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(18)O4 tetrahedra,  a cornercorner with one Li(19)O4 tetrahedra,  a cornercorner with one Li(22)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Mn(1)O4 tetrahedra, corners with two equivalent Li(17)O4 tetrahedra,  a cornercorner with one Mn(4)O4 trigonal pyramid,  an edgeedge with one Li(14)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(20)O4 tetrahedra,  an edgeedge with one Li(22)O4 tetrahedra,  an edgeedge with one Li(9)O4 tetrahedra, and  an edgeedge with one Mn(3)O4 tetrahedra. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form MnO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(18)O4 tetrahedra,  a cornercorner with one Li(19)O4 tetrahedra,  a cornercorner with one Li(22)O4 tetrahedra,  a cornercorner with one Li(26)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(20)O4 tetrahedra, corners with two equivalent Li(21)O4 tetrahedra,  an edgeedge with one Li(18)O4 tetrahedra, and  an edgeedge with one Li(25)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(11), one O(14), one O(17), and one O(9) atom to form distorted MnO4 trigonal pyramids that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(17)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(20)O4 tetrahedra,  a cornercorner with one Li(25)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(13)O4 tetrahedra,  an edgeedge with one Li(15)O4 tetrahedra, and  an edgeedge with one Li(9)O4 tetrahedra. In the third Mn site, Mn(3) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form MnO4 tetrahedra that share  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(16)O4 tetrahedra,  a cornercorner with one Li(17)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(20)O4 tetrahedra,  a cornercorner with one Li(21)O4 tetrahedra,  a cornercorner with one Li(25)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(19)O4 tetrahedra, corners with two equivalent Li(22)O4 tetrahedra,  an edgeedge with one Li(17)O4 tetrahedra, and  an edgeedge with one Li(26)O4 tetrahedra. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(12), one O(13), and one O(18) atom to form distorted MnO4 trigonal pyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(18)O4 tetrahedra,  a cornercorner with one Li(19)O4 tetrahedra,  a cornercorner with one Li(26)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Li(10)O4 tetrahedra,  an edgeedge with one Li(14)O4 tetrahedra,  an edgeedge with one Li(16)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(17), one Li(2), one Li(20), one Li(22), one Li(26), one Li(3), and one Mn(3) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(1), one Li(18), one Li(19), one Li(21), one Li(25), one Li(4), and one Mn(1) atom. In the third O site, O(3) is bonded to one Li(11), one Li(16), one Li(23), one Li(3), one Li(6), and one Mn(3) atom to form distorted OLi5Mn octahedra that share  a cornercorner with one O(13)Li5Mn octahedra,  a cornercorner with one O(14)Li5Mn octahedra, corners with two equivalent O(16)Li6 octahedra,  an edgeedge with one O(7)Li6Mn hexagonal pyramid,  an edgeedge with one O(13)Li5Mn octahedra, and  an edgeedge with one O(15)Li6 octahedra. The corner-sharing octahedral tilt angles range from 53-57°. In the fourth O site, O(4) is bonded to one Li(12), one Li(15), one Li(24), one Li(4), one Li(5), and one Mn(1) atom to form distorted OLi5Mn octahedra that share  a cornercorner with one O(13)Li5Mn octahedra,  a cornercorner with one O(14)Li5Mn octahedra, corners with two equivalent O(15)Li6 octahedra,  an edgeedge with one O(8)Li6Mn hexagonal pyramid,  an edgeedge with one O(14)Li5Mn octahedra, and  an edgeedge with one O(16)Li6 octahedra. The corner-sharing octahedral tilt angles range from 53-57°. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to one Li(11), one Li(17), one Li(19), one Li(22), one Li(26), one Li(9), and one Mn(3) atom. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to one Li(10), one Li(12), one Li(18), one Li(20), one Li(21), one Li(25), and one Mn(1) atom. In the seventh O site, O(7) is bonded to one Li(13), one Li(17), one Li(19), one Li(21), one Li(23), one Li(25), and one Mn(3) atom to form distorted OLi6Mn hexagonal pyramids that share  an edgeedge with one O(13)Li5Mn octahedra,  an edgeedge with one O(3)Li5Mn octahedra, and  an edgeedge with one O(15)Li6 octahedra. In the eighth O site, O(8) is bonded to one Li(14), one Li(18), one Li(20), one Li(22), one Li(24), one Li(26), and one Mn(1) atom to form distorted OLi6Mn hexagonal pyramids that share  an edgeedge with one O(14)Li5Mn octahedra,  an edgeedge with one O(4)Li5Mn octahedra, and  an edgeedge with one O(16)Li6 octahedra. In the ninth O site, O(9) is bonded in a 7-coordinate geometry to one Li(13), one Li(17), one Li(2), one Li(5), one Li(7), one Li(9), and one Mn(2) atom. In the tenth O site, O(10) is bonded in a 7-coordinate geometry to one Li(1), one Li(10), one Li(14), one Li(18), one Li(6), one Li(8), and one Mn(4) atom. In the eleventh O site, O(11) is bonded in a 7-coordinate geometry to one Li(1), one Li(13), one Li(15), one Li(5), one Li(8), one Li(9), and one Mn(2) atom. In the twelfth O site, O(12) is bonded in a 7-coordinate geometry to one Li(10), one Li(14), one Li(16), one Li(2), one Li(6), one Li(7), and one Mn(4) atom. In the thirteenth O site, O(13) is bonded to one Li(11), one Li(16), one Li(19), one Li(23), one Li(4), and one Mn(4) atom to form distorted OLi5Mn octahedra that share  a cornercorner with one O(3)Li5Mn octahedra,  a cornercorner with one O(4)Li5Mn octahedra,  a cornercorner with one O(15)Li6 octahedra,  a cornercorner with one O(16)Li6 octahedra,  an edgeedge with one O(7)Li6Mn hexagonal pyramid,  an edgeedge with one O(3)Li5Mn octahedra, and  an edgeedge with one O(15)Li6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. In the fourteenth O site, O(14) is bonded to one Li(12), one Li(15), one Li(20), one Li(24), one Li(3), and one Mn(2) atom to form distorted OLi5Mn octahedra that share  a cornercorner with one O(3)Li5Mn octahedra,  a cornercorner with one O(4)Li5Mn octahedra,  a cornercorner with one O(15)Li6 octahedra,  a cornercorner with one O(16)Li6 octahedra,  an edgeedge with one O(8)Li6Mn hexagonal pyramid,  an edgeedge with one O(4)Li5Mn octahedra, and  an edgeedge with one O(16)Li6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. In the fifteenth O site, O(15) is bonded to one Li(12), one Li(16), one Li(21), one Li(23), one Li(4), and one Li(7) atom to form distorted OLi6 octahedra that share  a cornercorner with one O(13)Li5Mn octahedra,  a cornercorner with one O(14)Li5Mn octahedra, corners with two equivalent O(4)Li5Mn octahedra,  an edgeedge with one O(7)Li6Mn hexagonal pyramid,  an edgeedge with one O(13)Li5Mn octahedra, and  an edgeedge with one O(3)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the sixteenth O site, O(16) is bonded to one Li(11), one Li(15), one Li(22), one Li(24), one Li(3), and one Li(8) atom to form distorted OLi6 octahedra that share  a cornercorner with one O(13)Li5Mn octahedra,  a cornercorner with one O(14)Li5Mn octahedra, corners with two equivalent O(3)Li5Mn octahedra,  an edgeedge with one O(8)Li6Mn hexagonal pyramid,  an edgeedge with one O(14)Li5Mn octahedra, and  an edgeedge with one O(4)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the seventeenth O site, O(17) is bonded in a 7-coordinate geometry to one Li(1), one Li(10), one Li(13), one Li(25), one Li(6), one Li(8), and one Mn(2) atom. In the eighteenth O site, O(18) is bonded in a 7-coordinate geometry to one Li(14), one Li(2), one Li(26), one Li(5), one Li(7), one Li(9), and one Mn(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li13Mn2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.696
_cell_length_b   5.754
_cell_length_c   8.250
_cell_angle_alpha   89.085
_cell_angle_beta   88.928
_cell_angle_gamma   60.335
_symmetry_Int_Tables_number   1
_cell_volume   234.931
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.974  0.314  0.425  1.0
  Li  Li1  1  0.030  0.312  0.948  1.0
  Li  Li2  1  0.297  0.331  0.222  1.0
  Li  Li3  1  0.025  0.970  0.219  1.0
  Li  Li4  1  0.336  0.629  0.417  1.0
  Li  Li5  1  0.297  0.704  0.952  1.0
  Li  Li6  1  0.652  0.047  0.421  1.0
  Li  Li7  1  0.669  0.310  0.063  1.0
  Li  Li8  1  0.328  0.970  0.578  1.0
  Li  Li9  1  0.669  0.614  0.752  1.0
  Li  Li10  1  0.971  0.024  0.755  1.0
  Li  Li11  1  0.693  0.934  0.938  1.0
  Li  Li12  1  0.966  0.676  0.578  1.0
  Mn  Mn13  1  0.371  0.324  0.738  1.0
  Mn  Mn14  1  0.662  0.695  0.221  1.0
  O  O15  1  0.036  0.321  0.662  1.0
  O  O16  1  0.364  0.320  0.968  1.0
  O  O17  1  0.292  0.674  0.672  1.0
  O  O18  1  0.644  0.974  0.675  1.0
  O  O19  1  0.327  0.997  0.345  1.0
  O  O20  1  0.652  0.340  0.307  1.0
  O  O21  1  0.671  0.625  0.982  1.0
  O  O22  1  0.976  0.011  0.987  1.0
  O  O23  1  0.989  0.669  0.345  1.0
[/CIF]
.
The material described by Li13Mn2O9 crystallizes in the triclinic P1 space group. There are twenty-six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(11), one O(17), and one O(2) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(19)O4 tetrahedra,  a cornercorner with one Li(21)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra,  a cornercorner with one Mn(1)O4 tetrahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Li(13)O4 tetrahedra,  a cornercorner with one Mn(4)O4 trigonal pyramid,  an edgeedge with one Li(18)O4 tetrahedra,  an edgeedge with one Li(25)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra, and  an edgeedge with one Mn(2)O4 trigonal pyramid. In the second Li site, Li(2) is bonded to one O(1), one O(12), one O(18), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(16)O4 tetrahedra,  a cornercorner with one Li(20)O4 tetrahedra,  a cornercorner with one Li(22)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Mn(3)O4 tetrahedra, corners with two equivalent Li(14)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra,  a cornercorner with one Mn(2)O4 trigonal pyramid,  an edgeedge with one Li(17)O4 tetrahedra,  an edgeedge with one Li(26)O4 tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra, and  an edgeedge with one Mn(4)O4 trigonal pyramid. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(1), one O(14), one O(16), and one O(3) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(13), one O(15), one O(2), and one O(4) atom. In the fifth Li site, Li(5) is bonded to one O(11), one O(18), one O(4), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(17)O4 tetrahedra,  a cornercorner with one Li(26)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra,  a cornercorner with one Mn(1)O4 tetrahedra,  a cornercorner with one Mn(4)O4 trigonal pyramid, corners with two equivalent Mn(2)O4 trigonal pyramids,  an edgeedge with one Li(13)O4 tetrahedra,  an edgeedge with one Li(15)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(9)O4 tetrahedra. In the sixth Li site, Li(6) is bonded to one O(10), one O(12), one O(17), and one O(3) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(18)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(25)O4 tetrahedra,  a cornercorner with one Mn(3)O4 tetrahedra,  a cornercorner with one Mn(2)O4 trigonal pyramid, corners with two equivalent Mn(4)O4 trigonal pyramids,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(10)O4 tetrahedra,  an edgeedge with one Li(14)O4 tetrahedra, and  an edgeedge with one Li(16)O4 tetrahedra. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to one O(12), one O(15), one O(18), and one O(9) atom. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(10), one O(11), one O(16), and one O(17) atom. In the ninth Li site, Li(9) is bonded to one O(11), one O(18), one O(5), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(19)O4 tetrahedra,  a cornercorner with one Li(22)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Mn(3)O4 tetrahedra, corners with two equivalent Li(13)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  a cornercorner with one Mn(4)O4 trigonal pyramid,  an edgeedge with one Li(17)O4 tetrahedra,  an edgeedge with one Li(26)O4 tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra, and  an edgeedge with one Mn(2)O4 trigonal pyramid. In the tenth Li site, Li(10) is bonded to one O(10), one O(12), one O(17), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(16)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(20)O4 tetrahedra,  a cornercorner with one Li(21)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Mn(1)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(14)O4 tetrahedra,  a cornercorner with one Mn(2)O4 trigonal pyramid,  an edgeedge with one Li(18)O4 tetrahedra,  an edgeedge with one Li(25)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra, and  an edgeedge with one Mn(4)O4 trigonal pyramid. In the eleventh Li site, Li(11) is bonded in a 4-coordinate geometry to one O(13), one O(16), one O(3), and one O(5) atom. In the twelfth Li site, Li(12) is bonded in a 4-coordinate geometry to one O(14), one O(15), one O(4), and one O(6) atom. In the thirteenth Li site, Li(13) is bonded to one O(11), one O(17), one O(7), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(19)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(21)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Mn(3)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra,  a cornercorner with one Mn(2)O4 trigonal pyramid,  an edgeedge with one Li(17)O4 tetrahedra,  an edgeedge with one Li(25)O4 tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra, and  an edgeedge with one Mn(2)O4 trigonal pyramid. In the fourteenth Li site, Li(14) is bonded to one O(10), one O(12), one O(18), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(16)O4 tetrahedra,  a cornercorner with one Li(20)O4 tetrahedra,  a cornercorner with one Li(22)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra,  a cornercorner with one Mn(1)O4 tetrahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  a cornercorner with one Mn(4)O4 trigonal pyramid,  an edgeedge with one Li(18)O4 tetrahedra,  an edgeedge with one Li(26)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra, and  an edgeedge with one Mn(4)O4 trigonal pyramid. In the fifteenth Li site, Li(15) is bonded to one O(11), one O(14), one O(16), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(20)O4 tetrahedra,  a cornercorner with one Li(22)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra,  a cornercorner with one Mn(1)O4 tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra, and  an edgeedge with one Mn(2)O4 trigonal pyramid. In the sixteenth Li site, Li(16) is bonded to one O(12), one O(13), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(19)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(21)O4 tetrahedra,  a cornercorner with one Mn(3)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra, and  an edgeedge with one Mn(4)O4 trigonal pyramid. In the seventeenth Li site, Li(17) is bonded to one O(1), one O(5), one O(7), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(20)O4 tetrahedra,  a cornercorner with one Li(21)O4 tetrahedra,  a cornercorner with one Li(25)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Mn(3)O4 tetrahedra, corners with two equivalent Li(26)O4 tetrahedra,  a cornercorner with one Mn(2)O4 trigonal pyramid,  an edgeedge with one Li(13)O4 tetrahedra,  an edgeedge with one Li(19)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(22)O4 tetrahedra,  an edgeedge with one Li(9)O4 tetrahedra, and  an edgeedge with one Mn(3)O4 tetrahedra. In the eighteenth Li site, Li(18) is bonded to one O(10), one O(2), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(19)O4 tetrahedra,  a cornercorner with one Li(22)O4 tetrahedra,  a cornercorner with one Li(26)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Mn(1)O4 tetrahedra, corners with two equivalent Li(25)O4 tetrahedra,  a cornercorner with one Mn(4)O4 trigonal pyramid,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(10)O4 tetrahedra,  an edgeedge with one Li(14)O4 tetrahedra,  an edgeedge with one Li(20)O4 tetrahedra,  an edgeedge with one Li(21)O4 tetrahedra, and  an edgeedge with one Mn(1)O4 tetrahedra. In the nineteenth Li site, Li(19) is bonded to one O(13), one O(2), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(16)O4 tetrahedra,  a cornercorner with one Li(18)O4 tetrahedra,  a cornercorner with one Li(22)O4 tetrahedra,  a cornercorner with one Li(26)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra,  a cornercorner with one Mn(1)O4 tetrahedra, corners with two equivalent Li(21)O4 tetrahedra, corners with two equivalent Mn(3)O4 tetrahedra,  a cornercorner with one Mn(4)O4 trigonal pyramid,  an edgeedge with one Li(17)O4 tetrahedra, and  an edgeedge with one Li(25)O4 tetrahedra. In the twentieth Li site, Li(20) is bonded to one O(1), one O(14), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(17)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(21)O4 tetrahedra,  a cornercorner with one Li(25)O4 tetrahedra,  a cornercorner with one Mn(3)O4 tetrahedra, corners with two equivalent Li(22)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra,  a cornercorner with one Mn(2)O4 trigonal pyramid,  an edgeedge with one Li(18)O4 tetrahedra, and  an edgeedge with one Li(26)O4 tetrahedra. In the twenty-first Li site, Li(21) is bonded to one O(15), one O(2), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(16)O4 tetrahedra,  a cornercorner with one Li(17)O4 tetrahedra,  a cornercorner with one Li(20)O4 tetrahedra,  a cornercorner with one Li(25)O4 tetrahedra,  a cornercorner with one Mn(3)O4 tetrahedra, corners with two equivalent Li(19)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra,  an edgeedge with one Li(18)O4 tetrahedra, and  an edgeedge with one Li(25)O4 tetrahedra. In the twenty-second Li site, Li(22) is bonded to one O(1), one O(16), one O(5), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(18)O4 tetrahedra,  a cornercorner with one Li(19)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(26)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra,  a cornercorner with one Mn(1)O4 tetrahedra, corners with two equivalent Li(20)O4 tetrahedra, corners with two equivalent Mn(3)O4 tetrahedra,  an edgeedge with one Li(17)O4 tetrahedra, and  an edgeedge with one Li(26)O4 tetrahedra. In the twenty-third Li site, Li(23) is bonded in a 4-coordinate geometry to one O(13), one O(15), one O(3), and one O(7) atom. In the twenty-fourth Li site, Li(24) is bonded in a 4-coordinate geometry to one O(14), one O(16), one O(4), and one O(8) atom. In the twenty-fifth Li site, Li(25) is bonded to one O(17), one O(2), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(17)O4 tetrahedra,  a cornercorner with one Li(20)O4 tetrahedra,  a cornercorner with one Li(21)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Mn(3)O4 tetrahedra, corners with two equivalent Li(18)O4 tetrahedra,  a cornercorner with one Mn(2)O4 trigonal pyramid,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(10)O4 tetrahedra,  an edgeedge with one Li(13)O4 tetrahedra,  an edgeedge with one Li(19)O4 tetrahedra,  an edgeedge with one Li(21)O4 tetrahedra, and  an edgeedge with one Mn(1)O4 tetrahedra. In the twenty-sixth Li site, Li(26) is bonded to one O(1), one O(18), one O(5), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(18)O4 tetrahedra,  a cornercorner with one Li(19)O4 tetrahedra,  a cornercorner with one Li(22)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Mn(1)O4 tetrahedra, corners with two equivalent Li(17)O4 tetrahedra,  a cornercorner with one Mn(4)O4 trigonal pyramid,  an edgeedge with one Li(14)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(20)O4 tetrahedra,  an edgeedge with one Li(22)O4 tetrahedra,  an edgeedge with one Li(9)O4 tetrahedra, and  an edgeedge with one Mn(3)O4 tetrahedra. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form MnO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(18)O4 tetrahedra,  a cornercorner with one Li(19)O4 tetrahedra,  a cornercorner with one Li(22)O4 tetrahedra,  a cornercorner with one Li(26)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(20)O4 tetrahedra, corners with two equivalent Li(21)O4 tetrahedra,  an edgeedge with one Li(18)O4 tetrahedra, and  an edgeedge with one Li(25)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(11), one O(14), one O(17), and one O(9) atom to form distorted MnO4 trigonal pyramids that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(17)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(20)O4 tetrahedra,  a cornercorner with one Li(25)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(13)O4 tetrahedra,  an edgeedge with one Li(15)O4 tetrahedra, and  an edgeedge with one Li(9)O4 tetrahedra. In the third Mn site, Mn(3) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form MnO4 tetrahedra that share  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(16)O4 tetrahedra,  a cornercorner with one Li(17)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(20)O4 tetrahedra,  a cornercorner with one Li(21)O4 tetrahedra,  a cornercorner with one Li(25)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(19)O4 tetrahedra, corners with two equivalent Li(22)O4 tetrahedra,  an edgeedge with one Li(17)O4 tetrahedra, and  an edgeedge with one Li(26)O4 tetrahedra. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(12), one O(13), and one O(18) atom to form distorted MnO4 trigonal pyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(18)O4 tetrahedra,  a cornercorner with one Li(19)O4 tetrahedra,  a cornercorner with one Li(26)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Li(10)O4 tetrahedra,  an edgeedge with one Li(14)O4 tetrahedra,  an edgeedge with one Li(16)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(17), one Li(2), one Li(20), one Li(22), one Li(26), one Li(3), and one Mn(3) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(1), one Li(18), one Li(19), one Li(21), one Li(25), one Li(4), and one Mn(1) atom. In the third O site, O(3) is bonded to one Li(11), one Li(16), one Li(23), one Li(3), one Li(6), and one Mn(3) atom to form distorted OLi5Mn octahedra that share  a cornercorner with one O(13)Li5Mn octahedra,  a cornercorner with one O(14)Li5Mn octahedra, corners with two equivalent O(16)Li6 octahedra,  an edgeedge with one O(7)Li6Mn hexagonal pyramid,  an edgeedge with one O(13)Li5Mn octahedra, and  an edgeedge with one O(15)Li6 octahedra. The corner-sharing octahedral tilt angles range from 53-57°. In the fourth O site, O(4) is bonded to one Li(12), one Li(15), one Li(24), one Li(4), one Li(5), and one Mn(1) atom to form distorted OLi5Mn octahedra that share  a cornercorner with one O(13)Li5Mn octahedra,  a cornercorner with one O(14)Li5Mn octahedra, corners with two equivalent O(15)Li6 octahedra,  an edgeedge with one O(8)Li6Mn hexagonal pyramid,  an edgeedge with one O(14)Li5Mn octahedra, and  an edgeedge with one O(16)Li6 octahedra. The corner-sharing octahedral tilt angles range from 53-57°. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to one Li(11), one Li(17), one Li(19), one Li(22), one Li(26), one Li(9), and one Mn(3) atom. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to one Li(10), one Li(12), one Li(18), one Li(20), one Li(21), one Li(25), and one Mn(1) atom. In the seventh O site, O(7) is bonded to one Li(13), one Li(17), one Li(19), one Li(21), one Li(23), one Li(25), and one Mn(3) atom to form distorted OLi6Mn hexagonal pyramids that share  an edgeedge with one O(13)Li5Mn octahedra,  an edgeedge with one O(3)Li5Mn octahedra, and  an edgeedge with one O(15)Li6 octahedra. In the eighth O site, O(8) is bonded to one Li(14), one Li(18), one Li(20), one Li(22), one Li(24), one Li(26), and one Mn(1) atom to form distorted OLi6Mn hexagonal pyramids that share  an edgeedge with one O(14)Li5Mn octahedra,  an edgeedge with one O(4)Li5Mn octahedra, and  an edgeedge with one O(16)Li6 octahedra. In the ninth O site, O(9) is bonded in a 7-coordinate geometry to one Li(13), one Li(17), one Li(2), one Li(5), one Li(7), one Li(9), and one Mn(2) atom. In the tenth O site, O(10) is bonded in a 7-coordinate geometry to one Li(1), one Li(10), one Li(14), one Li(18), one Li(6), one Li(8), and one Mn(4) atom. In the eleventh O site, O(11) is bonded in a 7-coordinate geometry to one Li(1), one Li(13), one Li(15), one Li(5), one Li(8), one Li(9), and one Mn(2) atom. In the twelfth O site, O(12) is bonded in a 7-coordinate geometry to one Li(10), one Li(14), one Li(16), one Li(2), one Li(6), one Li(7), and one Mn(4) atom. In the thirteenth O site, O(13) is bonded to one Li(11), one Li(16), one Li(19), one Li(23), one Li(4), and one Mn(4) atom to form distorted OLi5Mn octahedra that share  a cornercorner with one O(3)Li5Mn octahedra,  a cornercorner with one O(4)Li5Mn octahedra,  a cornercorner with one O(15)Li6 octahedra,  a cornercorner with one O(16)Li6 octahedra,  an edgeedge with one O(7)Li6Mn hexagonal pyramid,  an edgeedge with one O(3)Li5Mn octahedra, and  an edgeedge with one O(15)Li6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. In the fourteenth O site, O(14) is bonded to one Li(12), one Li(15), one Li(20), one Li(24), one Li(3), and one Mn(2) atom to form distorted OLi5Mn octahedra that share  a cornercorner with one O(3)Li5Mn octahedra,  a cornercorner with one O(4)Li5Mn octahedra,  a cornercorner with one O(15)Li6 octahedra,  a cornercorner with one O(16)Li6 octahedra,  an edgeedge with one O(8)Li6Mn hexagonal pyramid,  an edgeedge with one O(4)Li5Mn octahedra, and  an edgeedge with one O(16)Li6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. In the fifteenth O site, O(15) is bonded to one Li(12), one Li(16), one Li(21), one Li(23), one Li(4), and one Li(7) atom to form distorted OLi6 octahedra that share  a cornercorner with one O(13)Li5Mn octahedra,  a cornercorner with one O(14)Li5Mn octahedra, corners with two equivalent O(4)Li5Mn octahedra,  an edgeedge with one O(7)Li6Mn hexagonal pyramid,  an edgeedge with one O(13)Li5Mn octahedra, and  an edgeedge with one O(3)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the sixteenth O site, O(16) is bonded to one Li(11), one Li(15), one Li(22), one Li(24), one Li(3), and one Li(8) atom to form distorted OLi6 octahedra that share  a cornercorner with one O(13)Li5Mn octahedra,  a cornercorner with one O(14)Li5Mn octahedra, corners with two equivalent O(3)Li5Mn octahedra,  an edgeedge with one O(8)Li6Mn hexagonal pyramid,  an edgeedge with one O(14)Li5Mn octahedra, and  an edgeedge with one O(4)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the seventeenth O site, O(17) is bonded in a 7-coordinate geometry to one Li(1), one Li(10), one Li(13), one Li(25), one Li(6), one Li(8), and one Mn(2) atom. In the eighteenth O site, O(18) is bonded in a 7-coordinate geometry to one Li(14), one Li(2), one Li(26), one Li(5), one Li(7), one Li(9), and one Mn(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li13Mn2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.696
_cell_length_b   5.754
_cell_length_c   8.250
_cell_angle_alpha   89.085
_cell_angle_beta   88.928
_cell_angle_gamma   60.335
_symmetry_Int_Tables_number   1
_cell_volume   234.931
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.974  0.314  0.425  1.0
  Li  Li1  1  0.030  0.312  0.948  1.0
  Li  Li2  1  0.297  0.331  0.222  1.0
  Li  Li3  1  0.025  0.970  0.219  1.0
  Li  Li4  1  0.336  0.629  0.417  1.0
  Li  Li5  1  0.297  0.704  0.952  1.0
  Li  Li6  1  0.652  0.047  0.421  1.0
  Li  Li7  1  0.669  0.310  0.063  1.0
  Li  Li8  1  0.328  0.970  0.578  1.0
  Li  Li9  1  0.669  0.614  0.752  1.0
  Li  Li10  1  0.971  0.024  0.755  1.0
  Li  Li11  1  0.693  0.934  0.938  1.0
  Li  Li12  1  0.966  0.676  0.578  1.0
  Mn  Mn13  1  0.371  0.324  0.738  1.0
  Mn  Mn14  1  0.662  0.695  0.221  1.0
  O  O15  1  0.036  0.321  0.662  1.0
  O  O16  1  0.364  0.320  0.968  1.0
  O  O17  1  0.292  0.674  0.672  1.0
  O  O18  1  0.644  0.974  0.675  1.0
  O  O19  1  0.327  0.997  0.345  1.0
  O  O20  1  0.652  0.340  0.307  1.0
  O  O21  1  0.671  0.625  0.982  1.0
  O  O22  1  0.976  0.011  0.987  1.0
  O  O23  1  0.989  0.669  0.345  1.0
[/CIF]
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