Materials Data on RbLiZn2O3 by Materials Project

Abstract

RbLiZn2O3 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Rb1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (3.02 Å) and four longer (3.18 Å) Rb–O bond lengths. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra, corners with two equivalent ZnO4 tetrahedra, and edges with four equivalent ZnO4 tetrahedra. There is two shorter (1.95 Å) and two longer (2.00 Å) Li–O bond length. Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share a cornercorner with one LiO4 tetrahedra, corners with seven equivalent ZnO4 tetrahedra, and edges with two equivalent LiO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.97–2.09 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Rb1+, one Li1+, and three equivalent Zn2+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Rb1+, two equivalent Li1+, and two equivalent Zn2+ atoms.