Li4UO5 is Caswellsilverite-like structured and crystallizes in the tetragonal I4/m space group. Li(1) is bonded to one O(2) and five equivalent O(1) atoms to form LiO6 octahedra that share  a cornercorner with one U(1)O6 octahedra, corners with five equivalent Li(1)O6 octahedra, edges with three equivalent U(1)O6 octahedra, and edges with nine equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. U(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form UO6 octahedra that share corners with two equivalent U(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, and edges with twelve equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are two inequivalent O sites. In the first O site, O(1) is bonded to five equivalent Li(1) and one U(1) atom to form OLi5U octahedra that share  a cornercorner with one O(2)Li4U2 octahedra, corners with five equivalent O(1)Li5U octahedra, edges with three equivalent O(2)Li4U2 octahedra, and edges with nine equivalent O(1)Li5U octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second O site, O(2) is bonded to four equivalent Li(1) and two equivalent U(1) atoms to form OLi4U2 octahedra that share corners with two equivalent O(2)Li4U2 octahedra, corners with four equivalent O(1)Li5U octahedra, and edges with twelve equivalent O(1)Li5U octahedra. The corner-sharing octahedral tilt angles range from 0-11°.
Li4UO5 is Caswellsilverite-like structured and crystallizes in the tetragonal I4/m space group. Li(1) is bonded to one O(2) and five equivalent O(1) atoms to form LiO6 octahedra that share  a cornercorner with one U(1)O6 octahedra, corners with five equivalent Li(1)O6 octahedra, edges with three equivalent U(1)O6 octahedra, and edges with nine equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. The Li(1)-O(2) bond length is 2.17 Å. There are a spread of Li(1)-O(1) bond distances ranging from 2.02-2.31 Å. U(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form UO6 octahedra that share corners with two equivalent U(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, and edges with twelve equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Both U(1)-O(2) bond lengths are 2.21 Å. All U(1)-O(1) bond lengths are 2.02 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to five equivalent Li(1) and one U(1) atom to form OLi5U octahedra that share  a cornercorner with one O(2)Li4U2 octahedra, corners with five equivalent O(1)Li5U octahedra, edges with three equivalent O(2)Li4U2 octahedra, and edges with nine equivalent O(1)Li5U octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second O site, O(2) is bonded to four equivalent Li(1) and two equivalent U(1) atoms to form OLi4U2 octahedra that share corners with two equivalent O(2)Li4U2 octahedra, corners with four equivalent O(1)Li5U octahedra, and edges with twelve equivalent O(1)Li5U octahedra. The corner-sharing octahedral tilt angles range from 0-11°.