Materials Data on LiGeRhO4 by Materials Project

Abstract

LiRhGeO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with six equivalent RhO6 octahedra and corners with six equivalent GeO6 octahedra. The corner-sharing octahedra tilt angles range from 54–63°. There are two shorter (2.01 Å) and two longer (2.08 Å) Li–O bond lengths. Rh3+ is bonded to six O2- atoms to form RhO6 octahedra that share corners with six equivalent LiO4 tetrahedra, edges with two equivalent RhO6 octahedra, and edges with four equivalent GeO6 octahedra. There are four shorter (2.06 Å) and two longer (2.08 Å) Rh–O bond lengths. Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with six equivalent LiO4 tetrahedra, edges with two equivalent GeO6 octahedra, and edges with four equivalent RhO6 octahedra. There is two shorter (1.91 Å) and four longer (1.98 Å) Ge–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, one Rh3+, and two equivalent Ge4+ atoms. In the second O2- site, O2- is bonded to one Li1+, two equivalent Rh3+, and one Ge4+ atom to form a mixture of distorted edge and corner-sharing OLiGeRh2 tetrahedra.