Li5Ti2Mn3O10 crystallizes in the triclinic P1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(4), one O(6), and one O(9) atom. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one O(1), one O(3), and one O(5) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(2), one O(5), one O(6), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(5), one O(7), and one O(9) atom. In the fifth Li site, Li(5) is bonded in a 2-coordinate geometry to one O(10), one O(6), and one O(8) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 2-coordinate geometry to one O(1), one O(2), and one O(5) atom. In the second Ti site, Ti(2) is bonded in a 2-coordinate geometry to one O(10), one O(2), one O(6), and one O(9) atom. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(3), and one O(8) atom. In the second Mn site, Mn(2) is bonded in a 2-coordinate geometry to one O(1), one O(3), one O(7), and one O(8) atom. In the third Mn site, Mn(3) is bonded in a 2-coordinate geometry to one O(10), one O(3), one O(4), and one O(8) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(2), one Ti(1), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Li(4), one Ti(1), and one Ti(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(2), one Mn(1), one Mn(2), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(1) and one Mn(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Li(4), and one Ti(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Li(5), and one Ti(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Li(4) and one Mn(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(5), one Mn(1), one Mn(2), and one Mn(3) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Li(1), one Li(3), one Li(4), and one Ti(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(5), one Ti(2), one Mn(1), and one Mn(3) atom.
Li5Ti2Mn3O10 crystallizes in the triclinic P1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(4), one O(6), and one O(9) atom. The Li(1)-O(2) bond length is 1.79 Å. The Li(1)-O(4) bond length is 1.49 Å. The Li(1)-O(6) bond length is 2.29 Å. The Li(1)-O(9) bond length is 2.36 Å. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one O(1), one O(3), and one O(5) atom. The Li(2)-O(1) bond length is 2.25 Å. The Li(2)-O(3) bond length is 1.63 Å. The Li(2)-O(5) bond length is 1.57 Å. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(2), one O(5), one O(6), and one O(9) atom. The Li(3)-O(2) bond length is 2.14 Å. The Li(3)-O(5) bond length is 1.64 Å. The Li(3)-O(6) bond length is 1.59 Å. The Li(3)-O(9) bond length is 2.17 Å. In the fourth Li site, Li(4) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(5), one O(7), and one O(9) atom. The Li(4)-O(2) bond length is 2.35 Å. The Li(4)-O(5) bond length is 2.29 Å. The Li(4)-O(7) bond length is 1.50 Å. The Li(4)-O(9) bond length is 1.78 Å. In the fifth Li site, Li(5) is bonded in a 2-coordinate geometry to one O(10), one O(6), and one O(8) atom. The Li(5)-O(10) bond length is 2.28 Å. The Li(5)-O(6) bond length is 1.56 Å. The Li(5)-O(8) bond length is 1.64 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 2-coordinate geometry to one O(1), one O(2), and one O(5) atom. The Ti(1)-O(1) bond length is 1.41 Å. The Ti(1)-O(2) bond length is 1.51 Å. The Ti(1)-O(5) bond length is 1.95 Å. In the second Ti site, Ti(2) is bonded in a 2-coordinate geometry to one O(10), one O(2), one O(6), and one O(9) atom. The Ti(2)-O(10) bond length is 1.41 Å. The Ti(2)-O(2) bond length is 2.53 Å. The Ti(2)-O(6) bond length is 1.95 Å. The Ti(2)-O(9) bond length is 1.50 Å. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(3), and one O(8) atom. The Mn(1)-O(1) bond length is 1.72 Å. The Mn(1)-O(10) bond length is 1.71 Å. The Mn(1)-O(3) bond length is 2.16 Å. The Mn(1)-O(8) bond length is 2.16 Å. In the second Mn site, Mn(2) is bonded in a 2-coordinate geometry to one O(1), one O(3), one O(7), and one O(8) atom. The Mn(2)-O(1) bond length is 2.29 Å. The Mn(2)-O(3) bond length is 2.23 Å. The Mn(2)-O(7) bond length is 1.63 Å. The Mn(2)-O(8) bond length is 1.60 Å. In the third Mn site, Mn(3) is bonded in a 2-coordinate geometry to one O(10), one O(3), one O(4), and one O(8) atom. The Mn(3)-O(10) bond length is 2.29 Å. The Mn(3)-O(3) bond length is 1.61 Å. The Mn(3)-O(4) bond length is 1.63 Å. The Mn(3)-O(8) bond length is 2.23 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(2), one Ti(1), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Li(4), one Ti(1), and one Ti(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(2), one Mn(1), one Mn(2), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(1) and one Mn(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Li(4), and one Ti(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Li(5), and one Ti(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Li(4) and one Mn(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(5), one Mn(1), one Mn(2), and one Mn(3) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Li(1), one Li(3), one Li(4), and one Ti(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(5), one Ti(2), one Mn(1), and one Mn(3) atom.