Materials Data on RbLi2B3Sb2O9 by Materials Project

Abstract

RbLi2B3Sb2O9 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Rb1+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.91–3.49 Å. Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share a cornercorner with one LiO4 tetrahedra and corners with three equivalent SbO4 trigonal pyramids. There are a spread of Li–O bond distances ranging from 1.98–2.14 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.37–1.42 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.34 Å) and two longer (1.43 Å) B–O bond length. Sb3+ is bonded to four O2- atoms to form SbO4 trigonal pyramids that share corners with three equivalent LiO4 tetrahedra. There are a spread of Sb–O bond distances ranging from 2.03–2.30 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Rb1+, one B3+, and one Sb3+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Rb1+, one Li1+, one B3+, and one Sb3+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Rb1+, one Li1+, one B3+, and one Sb3+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one B3+, and one Sb3+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Rb1+, two equivalent Li1+, and one B3+ atom.