Li2FeAlO4 is Stannite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms 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), and two equivalent O(3) atoms to form FeO4 tetrahedra that share corners with four equivalent Al(1)O4 tetrahedra and corners with eight equivalent Li(1)O4 tetrahedra. Al(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form AlO4 tetrahedra that share corners with four equivalent Fe(1)O4 tetrahedra and corners with eight equivalent Li(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Fe(1), and one Al(1) atom to form corner-sharing OLi2AlFe tetrahedra. In the second O site, O(2) is bonded to two equivalent Li(1), one Fe(1), and one Al(1) atom to form corner-sharing OLi2AlFe tetrahedra. In the third O site, O(3) is bonded to two equivalent Li(1), one Fe(1), and one Al(1) atom to form corner-sharing OLi2AlFe tetrahedra.
Li2FeAlO4 is Stannite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms 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(1)-O(1) bond length is 1.99 Å. The Li(1)-O(2) bond length is 2.00 Å. There is one shorter (1.99 Å) and one longer (2.02 Å) Li(1)-O(3) bond length. Fe(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form FeO4 tetrahedra that share corners with four equivalent Al(1)O4 tetrahedra and corners with eight equivalent Li(1)O4 tetrahedra. The Fe(1)-O(1) bond length is 1.91 Å. The Fe(1)-O(2) bond length is 1.91 Å. Both Fe(1)-O(3) bond lengths are 1.92 Å. Al(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form AlO4 tetrahedra that share corners with four equivalent Fe(1)O4 tetrahedra and corners with eight equivalent Li(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. Both Al(1)-O(3) bond lengths are 1.79 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Fe(1), and one Al(1) atom to form corner-sharing OLi2AlFe tetrahedra. In the second O site, O(2) is bonded to two equivalent Li(1), one Fe(1), and one Al(1) atom to form corner-sharing OLi2AlFe tetrahedra. In the third O site, O(3) is bonded to two equivalent Li(1), one Fe(1), and one Al(1) atom to form corner-sharing OLi2AlFe tetrahedra.