Li2UO4 is Spinel-like structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent U(1)O6 octahedra,  an edgeedge with one U(1)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-69°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with four equivalent U(1)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent U(1)O6 octahedra, and edges with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-53°. U(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form UO6 octahedra that share corners with four equivalent Li(2)O6 octahedra, corners with four equivalent U(1)O6 octahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-53°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), and one U(1) atom to form corner-sharing OLi3U tetrahedra. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Li(2), and one U(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), and two equivalent U(1) atoms.
Li2UO4 is Spinel-like structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent U(1)O6 octahedra,  an edgeedge with one U(1)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-69°. The Li(1)-O(1) bond length is 1.88 Å. The Li(1)-O(2) bond length is 1.92 Å. Both Li(1)-O(3) bond lengths are 1.97 Å. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with four equivalent U(1)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent U(1)O6 octahedra, and edges with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-53°. Both Li(2)-O(1) bond lengths are 2.07 Å. Both Li(2)-O(2) bond lengths are 2.26 Å. Both Li(2)-O(3) bond lengths are 2.19 Å. U(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form UO6 octahedra that share corners with four equivalent Li(2)O6 octahedra, corners with four equivalent U(1)O6 octahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-53°. The U(1)-O(1) bond length is 1.94 Å. The U(1)-O(2) bond length is 1.92 Å. There are two shorter (2.17 Å) and two longer (2.18 Å) U(1)-O(3) bond lengths. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), and one U(1) atom to form corner-sharing OLi3U tetrahedra. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Li(2), and one U(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), and two equivalent U(1) atoms.