Materials Data on Li4WO5 by Materials Project
Li4WO5 is Caswellsilverite-like structured and crystallizes in the tetragonal I4 space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share a cornercorner with one WO6 octahedra, corners with five equivalent LiO6 octahedra, edges with three equivalent WO6 octahedra, and edges with nine equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–18°. There are a spread of Li–O bond distances ranging from 2.01–2.36 Å. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra, corners with four equivalent LiO6 octahedra, and edges with twelve equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of W–O bond distances ranging from 1.93–2.09 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to five equivalent Li1+ and one W6+ atom to form a mixture of edge and corner-sharing OLi5W octahedra. The corner-sharing octahedra tilt angles range from 1–18°. In the second O2- site, O2- is bonded to four equivalent Li1+ and two equivalent W6+ atoms to form a mixture of edge and corner-sharing OLi4W2 octahedra. The corner-sharing octahedra tilt angles range from 0–6°.