Li3MnCoO5 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted linear geometry to two equivalent O(1) atoms. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one O(2), one O(3), one O(5), and two equivalent O(4) atoms. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(3) and two equivalent O(4) atoms. In the fourth Li site, Li(4) is bonded in a 2-coordinate geometry to two equivalent O(4) and two equivalent O(5) atoms. Mn(1) is bonded in a 2-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. Co(1) is bonded in a 1-coordinate geometry to one O(1), one O(5), and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one Co(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Li(2) and one Mn(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(2), one Li(3), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a 8-coordinate geometry to one Li(4), two equivalent Li(2), two equivalent Li(3), one Mn(1), and two equivalent Co(1) atoms. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Li(4), and one Co(1) atom.
Li3MnCoO5 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted linear geometry to two equivalent O(1) atoms. Both Li(1)-O(1) bond lengths are 1.94 Å. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one O(2), one O(3), one O(5), and two equivalent O(4) atoms. The Li(2)-O(2) bond length is 2.08 Å. The Li(2)-O(3) bond length is 2.27 Å. The Li(2)-O(5) bond length is 1.90 Å. There is one shorter (2.44 Å) and one longer (2.55 Å) Li(2)-O(4) bond length. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(3) and two equivalent O(4) atoms. The Li(3)-O(3) bond length is 2.17 Å. There is one shorter (2.05 Å) and one longer (2.26 Å) Li(3)-O(4) bond length. In the fourth Li site, Li(4) is bonded in a 2-coordinate geometry to two equivalent O(4) and two equivalent O(5) atoms. Both Li(4)-O(4) bond lengths are 2.44 Å. Both Li(4)-O(5) bond lengths are 2.09 Å. Mn(1) is bonded in a 2-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. The Mn(1)-O(1) bond length is 2.13 Å. The Mn(1)-O(2) bond length is 1.96 Å. The Mn(1)-O(3) bond length is 1.85 Å. The Mn(1)-O(4) bond length is 2.49 Å. Co(1) is bonded in a 1-coordinate geometry to one O(1), one O(5), and two equivalent O(4) atoms. The Co(1)-O(1) bond length is 2.14 Å. The Co(1)-O(5) bond length is 2.08 Å. There is one shorter (1.82 Å) and one longer (2.56 Å) Co(1)-O(4) bond length. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one Co(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Li(2) and one Mn(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(2), one Li(3), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a 8-coordinate geometry to one Li(4), two equivalent Li(2), two equivalent Li(3), one Mn(1), and two equivalent Co(1) atoms. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Li(4), and one Co(1) atom.