Materials Data on TbGdO3 by Materials Project

Abstract

TbGdO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb3+ is bonded to six O2- atoms to form corner-sharing TbO6 octahedra. The corner-sharing octahedra tilt angles range from 45–49°. There are a spread of Tb–O bond distances ranging from 2.26–2.33 Å. Gd3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Gd–O bond distances ranging from 2.24–2.42 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tb3+ and two equivalent Gd3+ atoms to form distorted corner-sharing OTb2Gd2 trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tb3+ and one Gd3+ atom.