Materials Data on PrSbO4 by Materials Project

Abstract

PrSbO4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pr3+ is bonded to six O2- atoms to form PrO6 octahedra that share corners with four equivalent PrO6 octahedra, corners with six equivalent SbO6 octahedra, and an edgeedge with one SbO6 octahedra. The corner-sharing octahedra tilt angles range from 47–62°. There are a spread of Pr–O bond distances ranging from 2.40–2.48 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six equivalent PrO6 octahedra, an edgeedge with one PrO6 octahedra, and edges with two equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 47–62°. There are a spread of Sb–O bond distances ranging from 1.96–2.08 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Pr3+ and two equivalent Sb5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Pr3+ and one Sb5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Pr3+ and two equivalent Sb5+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Pr3+ and one Sb5+ atom.