Materials Data on Tb5O9 by Materials Project

Abstract

Tb5O9 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Tb+3.60+ sites. In the first Tb+3.60+ site, Tb+3.60+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tb–O bond distances ranging from 2.30–2.45 Å. In the second Tb+3.60+ site, Tb+3.60+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.31 Å) and four longer (2.52 Å) Tb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Tb+3.60+ atoms to form a mixture of edge and corner-sharing OTb4 tetrahedra. In the second O2- site, O2- is bonded to four Tb+3.60+ atoms to form a mixture of edge and corner-sharing OTb4 tetrahedra. In the third O2- site, O2- is bonded to four Tb+3.60+ atoms to form a mixture of distorted edge and corner-sharing OTb4 tetrahedra.