LiCrMn3O8 is beta indium sulfide-derived structured and crystallizes in the trigonal R3m space group. Li(1) is bonded to one O(4) and three equivalent O(3) atoms to form LiO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and corners with nine equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-62°. Cr(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form CrO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra and edges with six equivalent Mn(1)O6 octahedra. Mn(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. There are four 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 Cr(1) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded to one Li(1), one Cr(1), and two equivalent Mn(1) atoms to form distorted OLiMn2Cr tetrahedra that share corners with two equivalent O(3)LiMn2Cr tetrahedra,  a cornercorner with one O(4)LiMn3 trigonal pyramid, edges with two equivalent O(3)LiMn2Cr tetrahedra, and  an edgeedge with one O(4)LiMn3 trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(1) and three equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing OLiMn3 trigonal pyramids.
LiCrMn3O8 is beta indium sulfide-derived structured and crystallizes in the trigonal R3m space group. Li(1) is bonded to one O(4) and three equivalent O(3) atoms to form LiO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and corners with nine equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-62°. The Li(1)-O(4) bond length is 2.04 Å. All Li(1)-O(3) bond lengths are 1.98 Å. Cr(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form CrO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra and edges with six equivalent Mn(1)O6 octahedra. All Cr(1)-O(2) bond lengths are 2.00 Å. All Cr(1)-O(3) bond lengths are 2.02 Å. Mn(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The Mn(1)-O(1) bond length is 1.95 Å. The Mn(1)-O(4) bond length is 1.98 Å. Both Mn(1)-O(2) bond lengths are 1.92 Å. Both Mn(1)-O(3) bond lengths are 1.96 Å. There are four 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 Cr(1) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded to one Li(1), one Cr(1), and two equivalent Mn(1) atoms to form distorted OLiMn2Cr tetrahedra that share corners with two equivalent O(3)LiMn2Cr tetrahedra,  a cornercorner with one O(4)LiMn3 trigonal pyramid, edges with two equivalent O(3)LiMn2Cr tetrahedra, and  an edgeedge with one O(4)LiMn3 trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(1) and three equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing OLiMn3 trigonal pyramids.