Materials Data on Cs2TbO3 by Materials Project

Abstract

Cs2TbO3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 2.99–3.34 Å. In the second Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 2.98–3.35 Å. There are two inequivalent Tb4+ sites. In the first Tb4+ site, Tb4+ is bonded to five O2- atoms to form distorted edge-sharing TbO5 trigonal bipyramids. There are a spread of Tb–O bond distances ranging from 2.13–2.28 Å. In the second Tb4+ site, Tb4+ is bonded to five O2- atoms to form distorted edge-sharing TbO5 trigonal bipyramids. There are a spread of Tb–O bond distances ranging from 2.13–2.28 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four Cs1+ and one Tb4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four Cs1+ and one Tb4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to four Cs1+ and two Tb4+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to four Cs1+ and two Tb4+ atoms.