Materials Data on RbNaTiO3 by Materials Project

Abstract

RbNaTiO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Rb1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.87 Å) and two longer (2.99 Å) Rb–O bond lengths. Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.40 Å. Ti4+ is bonded to five O2- atoms to form distorted edge-sharing TiO5 trigonal bipyramids. There are a spread of Ti–O bond distances ranging from 1.78–2.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Rb1+, one Na1+, and one Ti4+ atom.