K2LiMn2O4 crystallizes in the monoclinic Pm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted edge-sharing MnO5 square pyramids. In the second Mn site, Mn(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one K(2), two equivalent K(1), one Li(1), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent K(2), two equivalent Li(1), and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to one K(2), two equivalent K(1), one Li(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent K(2), one Mn(1), and two equivalent Mn(2) atoms.
K2LiMn2O4 crystallizes in the monoclinic Pm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. Both K(1)-O(1) bond lengths are 2.71 Å. Both K(1)-O(3) bond lengths are 2.74 Å. In the second K site, K(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms. The K(2)-O(1) bond length is 2.67 Å. The K(2)-O(3) bond length is 2.89 Å. Both K(2)-O(2) bond lengths are 2.96 Å. Both K(2)-O(4) bond lengths are 2.76 Å. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. The Li(1)-O(1) bond length is 2.04 Å. The Li(1)-O(3) bond length is 2.13 Å. Both Li(1)-O(2) bond lengths are 1.95 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted edge-sharing MnO5 square pyramids. The Mn(1)-O(4) bond length is 2.13 Å. Both Mn(1)-O(1) bond lengths are 2.04 Å. Both Mn(1)-O(3) bond lengths are 2.03 Å. In the second Mn site, Mn(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(4) atoms. Both Mn(2)-O(2) bond lengths are 2.13 Å. Both Mn(2)-O(4) bond lengths are 2.05 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one K(2), two equivalent K(1), one Li(1), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent K(2), two equivalent Li(1), and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to one K(2), two equivalent K(1), one Li(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent K(2), one Mn(1), and two equivalent Mn(2) atoms.