Li2NiAlO4 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 Ni(1)O4 tetrahedra, and corners with four equivalent Al(1)O4 tetrahedra. Ni(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form NiO4 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 Ni(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 Ni(1), and one Al(1) atom to form corner-sharing OLi2AlNi tetrahedra. In the second O site, O(2) is bonded to two equivalent Li(1), one Ni(1), and one Al(1) atom to form corner-sharing OLi2AlNi tetrahedra. In the third O site, O(3) is bonded to two equivalent Li(1), one Ni(1), and one Al(1) atom to form corner-sharing OLi2AlNi tetrahedra.
Li2NiAlO4 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 Ni(1)O4 tetrahedra, and corners with four equivalent Al(1)O4 tetrahedra. The Li(1)-O(1) bond length is 1.98 Å. The Li(1)-O(2) bond length is 1.97 Å. There is one shorter (1.97 Å) and one longer (2.00 Å) Li(1)-O(3) bond length. Ni(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form NiO4 tetrahedra that share corners with four equivalent Al(1)O4 tetrahedra and corners with eight equivalent Li(1)O4 tetrahedra. The Ni(1)-O(1) bond length is 1.86 Å. The Ni(1)-O(2) bond length is 1.87 Å. Both Ni(1)-O(3) bond lengths are 1.88 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 Ni(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 1.78 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 Ni(1), and one Al(1) atom to form corner-sharing OLi2AlNi tetrahedra. In the second O site, O(2) is bonded to two equivalent Li(1), one Ni(1), and one Al(1) atom to form corner-sharing OLi2AlNi tetrahedra. In the third O site, O(3) is bonded to two equivalent Li(1), one Ni(1), and one Al(1) atom to form corner-sharing OLi2AlNi tetrahedra.