Li2Mn2CuO6 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. 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 Mn(1)O6 octahedra and edges with three equivalent Cu(1)O6 octahedra. Cu(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CuO6 octahedra that share edges with six 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), two equivalent Mn(1), and one Cu(1) atom to form a mixture of distorted edge and corner-sharing OLi2Mn2Cu trigonal bipyramids. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Mn(1) and one Cu(1) atom.
Li2Mn2CuO6 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 (1.99 Å) and two longer (2.05 Å) Li(1)-O(1) bond lengths. 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 Mn(1)O6 octahedra and edges with three equivalent Cu(1)O6 octahedra. Both Mn(1)-O(2) bond lengths are 1.94 Å. There are two shorter (1.94 Å) and two longer (1.96 Å) Mn(1)-O(1) bond lengths. Cu(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CuO6 octahedra that share edges with six equivalent Mn(1)O6 octahedra. Both Cu(1)-O(2) bond lengths are 1.95 Å. All Cu(1)-O(1) bond lengths are 2.19 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent Mn(1), and one Cu(1) atom to form a mixture of distorted edge and corner-sharing OLi2Mn2Cu trigonal bipyramids. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Mn(1) and one Cu(1) atom.