Materials Data on LiCoSnO4 by Materials Project
LiCoSnO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent SnO6 octahedra, edges with two equivalent LiO6 octahedra, edges with two equivalent SnO6 octahedra, and edges with four equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 6–17°. There are a spread of Li–O bond distances ranging from 2.09–2.23 Å. Co3+ is bonded to six O2- atoms to form CoO6 octahedra that share edges with two equivalent CoO6 octahedra, edges with four equivalent LiO6 octahedra, and edges with four equivalent SnO6 octahedra. There are a spread of Co–O bond distances ranging from 1.94–1.96 Å. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six equivalent LiO6 octahedra, edges with two equivalent LiO6 octahedra, edges with two equivalent SnO6 octahedra, and edges with four equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 6–17°. There are two shorter (2.07 Å) and four longer (2.14 Å) Sn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted see-saw-like geometry to one Li1+, two equivalent Co3+, and one Sn4+ atom. In the second O2- site, O2- is bonded to two equivalent Li1+, one Co3+, and two equivalent Sn4+ atoms to form a mixture of edge and corner-sharing OLi2CoSn2 square pyramids.