Materials Data on Tb7O12 by Materials Project

Abstract

Tb7O12 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Tb+3.43+ sites. In the first Tb+3.43+ site, Tb+3.43+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tb–O bond distances ranging from 2.28–2.52 Å. In the second Tb+3.43+ site, Tb+3.43+ is bonded in a distorted octahedral geometry to six equivalent O2- atoms. All Tb–O bond lengths are 2.26 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Tb+3.43+ atoms to form a mixture of distorted edge and corner-sharing OTb4 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Tb+3.43+ atoms to form a mixture of edge and corner-sharing OTb4 tetrahedra.