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DOE OSTI2017

Materials Data on RbLiO by Materials Project

RbLiO crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two RbLiO sheets oriented in the (0, 0, 1) direction. Rb1+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. There are one shorter (2.91 Å) and two longer (2.95 Å) Rb–O bond lengths. Li1+ is bonded in a distorted trigonal planar geometry to three equivalent O2- atoms. There is two shorter (1.91 Å) and one longer (1.98 Å) Li–O bond length. O2- is bonded in a 6-coordinate geometry to three equivalent Rb1+ and three equivalent Li1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbLiO3 by Materials Project

RbLiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb is bonded to twelve equivalent O atoms to form RbO12 cuboctahedra that share corners with twelve equivalent RbO12 cuboctahedra, faces with six equivalent RbO12 cuboctahedra, and faces with eight equivalent LiO6 octahedra. All Rb–O bond lengths are 2.96 Å. Li is bonded to six equivalent O atoms to form LiO6 octahedra that share corners with six equivalent LiO6 octahedra and faces with eight equivalent RbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–O bond lengths are 2.09 Å. O is bonded in a distorted linear geometry to four equivalent Rb and two equivalent Li atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbLi2O3 by Materials Project

RbLi2O3 crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of one RbLi2O3 ribbon oriented in the (0, 1, 0) direction. Rb is bonded in a 2-coordinate geometry to two O atoms. There are one shorter (2.88 Å) and one longer (2.93 Å) Rb–O bond lengths. Li is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Li–O bond distances ranging from 1.89–1.94 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted rectangular see-saw-like geometry to four equivalent Li atoms. In the second O site, O is bonded in a 2-coordinate geometry to one Rb and two equivalent Li atoms. In the third O site, O is bonded in a distorted water-like geometry to one Rb and two equivalent Li atoms.

36 MATERIALS SCIENCE↗