Li2CrMn2O6 crystallizes in the orthorhombic Cmce space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(1) atoms. Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share edges with six equivalent Mn(1)O6 octahedra. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share edges with three equivalent Cr(1)O6 octahedra and edges with three equivalent Mn(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Cr(1), and two equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing OLi2Mn2Cr trigonal bipyramids. 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.
Li2CrMn2O6 crystallizes in the orthorhombic Cmce space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(1) atoms. There are two shorter (2.05 Å) and two longer (2.10 Å) Li(1)-O(1) bond lengths. Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share edges with six equivalent Mn(1)O6 octahedra. Both Cr(1)-O(2) bond lengths are 2.00 Å. All Cr(1)-O(1) bond lengths are 2.05 Å. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share edges with three equivalent Cr(1)O6 octahedra and edges with three equivalent Mn(1)O6 octahedra. Both Mn(1)-O(2) bond lengths are 1.94 Å. There are two shorter (1.96 Å) and two longer (2.11 Å) Mn(1)-O(1) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Cr(1), and two equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing OLi2Mn2Cr trigonal bipyramids. 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.