Materials Data on PrMoO5 by Materials Project

Abstract

PrMoO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pr4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.40–2.59 Å. Mo6+ is bonded in a distorted tetrahedral geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.77–2.44 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pr4+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pr4+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pr4+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a distorted linear geometry to one Pr4+ and one Mo6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pr4+ and one Mo6+ atom.