Materials Data on TbMoO5 by Materials Project

Abstract

TbMoO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tb4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.28–2.46 Å. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.76–1.86 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tb4+ and one O2- atom. The O–O bond length is 1.52 Å. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Tb4+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Tb4+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a distorted linear geometry to one Tb4+ and one Mo6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Tb4+ and one Mo6+ atom.