Materials Data on YbPrO3 by Materials Project

Abstract

PrYbO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb3+ is bonded to six O2- atoms to form corner-sharing YbO6 octahedra. The corner-sharing octahedra tilt angles range from 42–47°. There are a spread of Yb–O bond distances ranging from 2.23–2.33 Å. Pr3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pr–O bond distances ranging from 2.37–2.63 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Yb3+ and two equivalent Pr3+ atoms to form a mixture of distorted edge and corner-sharing OYb2Pr2 trigonal pyramids. In the second O2- site, O2- is bonded to two equivalent Yb3+ and two equivalent Pr3+ atoms to form a mixture of distorted edge and corner-sharing OYb2Pr2 trigonal pyramids.