Materials Data on LiZnIO4 by Materials Project

LiZnO4I crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. Li1+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 2.06–2.17 Å. Zn2+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are two shorter (1.99 Å) and two longer (2.05 Å) Zn–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+, two equivalent Zn2+, and one I5+ atom to form corner-sharing OLiZn2I tetrahedra. The O–I bond length is 2.02 Å. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two equivalent Zn2+, and one I5+ atom. The O–I bond length is 2.20 Å. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+ and two equivalent I5+ atoms. There are one shorter (1.83 Å) and one longer (2.74 Å) O–I bond lengths. I5+ is bonded in a 6-coordinate geometry to six O2- atoms.