LiMn4O8 crystallizes in the tetragonal I-4m2 space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. Mn(1) is bonded to two equivalent O(2) and three equivalent O(1) atoms to form distorted edge-sharing MnO5 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to three equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1) and two equivalent Mn(1) atoms.
LiMn4O8 crystallizes in the tetragonal I-4m2 space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. All Li(1)-O(2) bond lengths are 1.98 Å. Mn(1) is bonded to two equivalent O(2) and three equivalent O(1) atoms to form distorted edge-sharing MnO5 trigonal bipyramids. Both Mn(1)-O(2) bond lengths are 1.89 Å. There is one shorter (1.93 Å) and two longer (1.98 Å) Mn(1)-O(1) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to three equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1) and two equivalent Mn(1) atoms.