Li2FeAlO4 is beta beryllia-derived structured and crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Fe(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, corners with four equivalent Al(1)O4 tetrahedra, and  an edgeedge with one Fe(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Fe(1)O4 tetrahedra, and corners with four equivalent Al(1)O4 tetrahedra. Fe(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form FeO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, corners with four equivalent Al(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. Al(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AlO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, and corners with four equivalent Fe(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Fe(1), and one Al(1) atom to form a mixture of distorted corner and edge-sharing OLi2AlFe trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Fe(1), and one Al(1) atom to form a mixture of corner and edge-sharing OLi2AlFe tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Fe(1), and one Al(1) atom to form corner-sharing OLi2AlFe tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Fe(1), and one Al(1) atom to form corner-sharing OLi2AlFe tetrahedra.
Li2FeAlO4 is beta beryllia-derived structured and crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Fe(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, corners with four equivalent Al(1)O4 tetrahedra, and  an edgeedge with one Fe(1)O4 tetrahedra. The Li(1)-O(1) bond length is 2.28 Å. The Li(1)-O(2) bond length is 2.01 Å. The Li(1)-O(3) bond length is 1.97 Å. The Li(1)-O(4) bond length is 1.98 Å. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Fe(1)O4 tetrahedra, and corners with four equivalent Al(1)O4 tetrahedra. The Li(2)-O(1) bond length is 2.01 Å. The Li(2)-O(2) bond length is 2.02 Å. The Li(2)-O(3) bond length is 2.02 Å. The Li(2)-O(4) bond length is 2.04 Å. Fe(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form FeO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, corners with four equivalent Al(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The Fe(1)-O(1) bond length is 1.89 Å. The Fe(1)-O(2) bond length is 1.92 Å. The Fe(1)-O(3) bond length is 1.90 Å. The Fe(1)-O(4) bond length is 1.91 Å. Al(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AlO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, and corners with four equivalent Fe(1)O4 tetrahedra. The Al(1)-O(1) bond length is 1.79 Å. The Al(1)-O(2) bond length is 1.79 Å. The Al(1)-O(3) bond length is 1.79 Å. The Al(1)-O(4) bond length is 1.79 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Fe(1), and one Al(1) atom to form a mixture of distorted corner and edge-sharing OLi2AlFe trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Fe(1), and one Al(1) atom to form a mixture of corner and edge-sharing OLi2AlFe tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Fe(1), and one Al(1) atom to form corner-sharing OLi2AlFe tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Fe(1), and one Al(1) atom to form corner-sharing OLi2AlFe tetrahedra.