Li5Mn5(SeO3)8 crystallizes in the triclinic P1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(17), one O(2), one O(20), and one O(23) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(18), one O(19), and one O(24) atom. In the third Li site, Li(3) is bonded to one O(10), one O(13), one O(6), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, and  an edgeedge with one Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 61-72°. In the fourth Li site, Li(4) is bonded to one O(10), one O(14), one O(5), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 62-69°. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(10), one O(14), one O(15), one O(19), one O(22), and one O(4) atom. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(12), one O(17), one O(20), one O(3), and one O(6) atom to form distorted MnO6 octahedra that share  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra, and  an edgeedge with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles are 63°. In the second Mn site, Mn(2) is bonded to one O(11), one O(18), one O(19), one O(2), one O(4), and one O(5) atom to form MnO6 octahedra that share  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, and  an edgeedge with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles are 62°. In the third Mn site, Mn(3) is bonded to one O(11), one O(12), one O(21), one O(22), one O(5), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(2)O6 octahedra. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(15), one O(16), one O(2), one O(7), and one O(8) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 62-63°. In the fifth Mn site, Mn(5) is bonded in a 6-coordinate geometry to one O(13), one O(16), one O(20), one O(21), one O(3), and one O(9) atom. There are eight inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(14), one O(22), and one O(3) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(13), one O(21), and one O(4) atom. In the third Se site, Se(3) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(24), and one O(5) atom. In the fourth Se site, Se(4) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(23), and one O(6) atom. In the fifth Se site, Se(5) is bonded in a trigonal non-coplanar geometry to one O(17), one O(19), and one O(8) atom. In the sixth Se site, Se(6) is bonded in a trigonal non-coplanar geometry to one O(18), one O(20), and one O(7) atom. In the seventh Se site, Se(7) is bonded in a trigonal non-coplanar geometry to one O(10), one O(11), and one O(15) atom. In the eighth Se site, Se(8) is bonded in a distorted trigonal non-coplanar geometry to one O(12), one O(16), and one O(9) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Mn(1), one Mn(4), and one Se(4) atom to form a mixture of distorted corner and edge-sharing OLiMn2Se tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Mn(2), one Mn(4), and one Se(3) atom to form a mixture of corner and edge-sharing OLiMn2Se tetrahedra. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Mn(1), one Mn(5), and one Se(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Li(5), one Mn(2), and one Se(2) atom. In the fifth O site, O(5) is bonded to one Li(4), one Mn(2), one Mn(3), and one Se(3) atom to form OLiMn2Se tetrahedra that share  a cornercorner with one O(6)LiMn2Se tetrahedra,  a cornercorner with one O(9)Li2MnSe trigonal pyramid, and  an edgeedge with one O(2)LiMn2Se tetrahedra. In the sixth O site, O(6) is bonded to one Li(3), one Mn(1), one Mn(3), and one Se(4) atom to form OLiMn2Se tetrahedra that share  a cornercorner with one O(5)LiMn2Se tetrahedra,  a cornercorner with one O(9)Li2MnSe trigonal pyramid, and  an edgeedge with one O(1)LiMn2Se tetrahedra. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Mn(4) and one Se(6) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Mn(4) and one Se(5) atom. In the ninth O site, O(9) is bonded to one Li(3), one Li(4), one Mn(5), and one Se(8) atom to form distorted corner-sharing OLi2MnSe trigonal pyramids. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Li(3), one Li(4), one Li(5), and one Se(7) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Se(7) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Se(8) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(5), and one Se(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(4), one Li(5), and one Se(1) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(5), one Mn(4), and one Se(7) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Mn(4), one Mn(5), and one Se(8) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Se(5) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one Se(6) atom. In the nineteenth O site, O(19) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(5), one Mn(2), and one Se(5) atom. In the twentieth O site, O(20) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(5), and one Se(6) atom. In the twenty-first O site, O(21) is bonded in a trigonal planar geometry to one Mn(3), one Mn(5), and one Se(2) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal planar geometry to one Li(5), one Mn(3), and one Se(1) atom. In the twenty-third O site, O(23) is bonded in a bent 120 degrees geometry to one Li(1) and one Se(4) atom. In the twenty-fourth O site, O(24) is bonded in a bent 120 degrees geometry to one Li(2) and one Se(3) atom.
Li5Mn5(SeO3)8 crystallizes in the triclinic P1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(17), one O(2), one O(20), and one O(23) atom. The Li(1)-O(17) bond length is 2.08 Å. The Li(1)-O(2) bond length is 2.02 Å. The Li(1)-O(20) bond length is 2.26 Å. The Li(1)-O(23) bond length is 1.98 Å. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(18), one O(19), and one O(24) atom. The Li(2)-O(1) bond length is 2.03 Å. The Li(2)-O(18) bond length is 2.11 Å. The Li(2)-O(19) bond length is 2.20 Å. The Li(2)-O(24) bond length is 1.99 Å. In the third Li site, Li(3) is bonded to one O(10), one O(13), one O(6), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, and  an edgeedge with one Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 61-72°. The Li(3)-O(10) bond length is 1.96 Å. The Li(3)-O(13) bond length is 1.98 Å. The Li(3)-O(6) bond length is 1.99 Å. The Li(3)-O(9) bond length is 2.12 Å. In the fourth Li site, Li(4) is bonded to one O(10), one O(14), one O(5), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 62-69°. The Li(4)-O(10) bond length is 2.04 Å. The Li(4)-O(14) bond length is 1.95 Å. The Li(4)-O(5) bond length is 1.99 Å. The Li(4)-O(9) bond length is 2.01 Å. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(10), one O(14), one O(15), one O(19), one O(22), and one O(4) atom. The Li(5)-O(10) bond length is 2.42 Å. The Li(5)-O(14) bond length is 2.32 Å. The Li(5)-O(15) bond length is 2.25 Å. The Li(5)-O(19) bond length is 2.24 Å. The Li(5)-O(22) bond length is 2.23 Å. The Li(5)-O(4) bond length is 2.11 Å. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(12), one O(17), one O(20), one O(3), and one O(6) atom to form distorted MnO6 octahedra that share  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra, and  an edgeedge with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles are 63°. The Mn(1)-O(1) bond length is 2.25 Å. The Mn(1)-O(12) bond length is 2.21 Å. The Mn(1)-O(17) bond length is 2.15 Å. The Mn(1)-O(20) bond length is 2.27 Å. The Mn(1)-O(3) bond length is 2.17 Å. The Mn(1)-O(6) bond length is 2.33 Å. In the second Mn site, Mn(2) is bonded to one O(11), one O(18), one O(19), one O(2), one O(4), and one O(5) atom to form MnO6 octahedra that share  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, and  an edgeedge with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles are 62°. The Mn(2)-O(11) bond length is 2.22 Å. The Mn(2)-O(18) bond length is 2.17 Å. The Mn(2)-O(19) bond length is 2.23 Å. The Mn(2)-O(2) bond length is 2.27 Å. The Mn(2)-O(4) bond length is 2.16 Å. The Mn(2)-O(5) bond length is 2.32 Å. In the third Mn site, Mn(3) is bonded to one O(11), one O(12), one O(21), one O(22), one O(5), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(2)O6 octahedra. The Mn(3)-O(11) bond length is 2.25 Å. The Mn(3)-O(12) bond length is 2.31 Å. The Mn(3)-O(21) bond length is 2.14 Å. The Mn(3)-O(22) bond length is 2.11 Å. The Mn(3)-O(5) bond length is 2.29 Å. The Mn(3)-O(6) bond length is 2.29 Å. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(15), one O(16), one O(2), one O(7), and one O(8) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 62-63°. The Mn(4)-O(1) bond length is 2.42 Å. The Mn(4)-O(15) bond length is 1.96 Å. The Mn(4)-O(16) bond length is 2.00 Å. The Mn(4)-O(2) bond length is 2.39 Å. The Mn(4)-O(7) bond length is 1.97 Å. The Mn(4)-O(8) bond length is 1.95 Å. In the fifth Mn site, Mn(5) is bonded in a 6-coordinate geometry to one O(13), one O(16), one O(20), one O(21), one O(3), and one O(9) atom. The Mn(5)-O(13) bond length is 2.28 Å. The Mn(5)-O(16) bond length is 2.27 Å. The Mn(5)-O(20) bond length is 2.25 Å. The Mn(5)-O(21) bond length is 2.21 Å. The Mn(5)-O(3) bond length is 2.13 Å. The Mn(5)-O(9) bond length is 2.37 Å. There are eight inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(14), one O(22), and one O(3) atom. The Se(1)-O(14) bond length is 1.71 Å. The Se(1)-O(22) bond length is 1.72 Å. The Se(1)-O(3) bond length is 1.76 Å. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(13), one O(21), and one O(4) atom. The Se(2)-O(13) bond length is 1.73 Å. The Se(2)-O(21) bond length is 1.76 Å. The Se(2)-O(4) bond length is 1.71 Å. In the third Se site, Se(3) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(24), and one O(5) atom. The Se(3)-O(2) bond length is 1.78 Å. The Se(3)-O(24) bond length is 1.69 Å. The Se(3)-O(5) bond length is 1.78 Å. In the fourth Se site, Se(4) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(23), and one O(6) atom. The Se(4)-O(1) bond length is 1.78 Å. The Se(4)-O(23) bond length is 1.69 Å. The Se(4)-O(6) bond length is 1.78 Å. In the fifth Se site, Se(5) is bonded in a trigonal non-coplanar geometry to one O(17), one O(19), and one O(8) atom. The Se(5)-O(17) bond length is 1.72 Å. The Se(5)-O(19) bond length is 1.72 Å. The Se(5)-O(8) bond length is 1.76 Å. In the sixth Se site, Se(6) is bonded in a trigonal non-coplanar geometry to one O(18), one O(20), and one O(7) atom. The Se(6)-O(18) bond length is 1.71 Å. The Se(6)-O(20) bond length is 1.75 Å. The Se(6)-O(7) bond length is 1.75 Å. In the seventh Se site, Se(7) is bonded in a trigonal non-coplanar geometry to one O(10), one O(11), and one O(15) atom. The Se(7)-O(10) bond length is 1.70 Å. The Se(7)-O(11) bond length is 1.74 Å. The Se(7)-O(15) bond length is 1.77 Å. In the eighth Se site, Se(8) is bonded in a distorted trigonal non-coplanar geometry to one O(12), one O(16), and one O(9) atom. The Se(8)-O(12) bond length is 1.73 Å. The Se(8)-O(16) bond length is 1.79 Å. The Se(8)-O(9) bond length is 1.72 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Mn(1), one Mn(4), and one Se(4) atom to form a mixture of distorted corner and edge-sharing OLiMn2Se tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Mn(2), one Mn(4), and one Se(3) atom to form a mixture of corner and edge-sharing OLiMn2Se tetrahedra. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Mn(1), one Mn(5), and one Se(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Li(5), one Mn(2), and one Se(2) atom. In the fifth O site, O(5) is bonded to one Li(4), one Mn(2), one Mn(3), and one Se(3) atom to form OLiMn2Se tetrahedra that share  a cornercorner with one O(6)LiMn2Se tetrahedra,  a cornercorner with one O(9)Li2MnSe trigonal pyramid, and  an edgeedge with one O(2)LiMn2Se tetrahedra. In the sixth O site, O(6) is bonded to one Li(3), one Mn(1), one Mn(3), and one Se(4) atom to form OLiMn2Se tetrahedra that share  a cornercorner with one O(5)LiMn2Se tetrahedra,  a cornercorner with one O(9)Li2MnSe trigonal pyramid, and  an edgeedge with one O(1)LiMn2Se tetrahedra. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Mn(4) and one Se(6) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Mn(4) and one Se(5) atom. In the ninth O site, O(9) is bonded to one Li(3), one Li(4), one Mn(5), and one Se(8) atom to form distorted corner-sharing OLi2MnSe trigonal pyramids. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Li(3), one Li(4), one Li(5), and one Se(7) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Se(7) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Se(8) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(5), and one Se(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(4), one Li(5), and one Se(1) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(5), one Mn(4), and one Se(7) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Mn(4), one Mn(5), and one Se(8) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Se(5) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one Se(6) atom. In the nineteenth O site, O(19) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(5), one Mn(2), and one Se(5) atom. In the twentieth O site, O(20) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(5), and one Se(6) atom. In the twenty-first O site, O(21) is bonded in a trigonal planar geometry to one Mn(3), one Mn(5), and one Se(2) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal planar geometry to one Li(5), one Mn(3), and one Se(1) atom. In the twenty-third O site, O(23) is bonded in a bent 120 degrees geometry to one Li(1) and one Se(4) atom. In the twenty-fourth O site, O(24) is bonded in a bent 120 degrees geometry to one Li(2) and one Se(3) atom.