Li2CrMn2O6 crystallizes in the orthorhombic Aea2 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share edges with three equivalent Mn(1)O6 octahedra and edges with three equivalent Mn(2)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share edges with three equivalent Cr(1)O6 octahedra and edges with three equivalent Mn(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MnO6 octahedra that share edges with three equivalent Cr(1)O6 octahedra and edges with three equivalent Mn(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Cr(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing OLi2Mn2Cr trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Li(1), one Cr(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing OLi2Mn2Cr trigonal bipyramids. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Cr(1), one Mn(1), and one Mn(2) atom.
Li2CrMn2O6 crystallizes in the orthorhombic Aea2 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. There is one shorter (1.98 Å) and one longer (2.33 Å) Li(1)-O(1) bond length. There is one shorter (2.00 Å) and one longer (2.04 Å) Li(1)-O(2) bond length. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share edges with three equivalent Mn(1)O6 octahedra and edges with three equivalent Mn(2)O6 octahedra. Both Cr(1)-O(1) bond lengths are 2.05 Å. Both Cr(1)-O(2) bond lengths are 2.04 Å. Both Cr(1)-O(3) bond lengths are 2.01 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share edges with three equivalent Cr(1)O6 octahedra and edges with three equivalent Mn(2)O6 octahedra. Both Mn(1)-O(1) bond lengths are 2.00 Å. Both Mn(1)-O(2) bond lengths are 1.92 Å. Both Mn(1)-O(3) bond lengths are 1.94 Å. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MnO6 octahedra that share edges with three equivalent Cr(1)O6 octahedra and edges with three equivalent Mn(1)O6 octahedra. Both Mn(2)-O(1) bond lengths are 1.99 Å. Both Mn(2)-O(2) bond lengths are 2.24 Å. Both Mn(2)-O(3) bond lengths are 1.94 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Cr(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing OLi2Mn2Cr trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Li(1), one Cr(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing OLi2Mn2Cr trigonal bipyramids. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Cr(1), one Mn(1), and one Mn(2) atom.