Materials Data on TmInO3 by Materials Project

Abstract

TmInO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Tm–O bond distances ranging from 2.20–2.54 Å. In3+ is bonded to six O2- atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 45–49°. There are a spread of In–O bond distances ranging from 2.14–2.28 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tm3+ and two equivalent In3+ atoms to form a mixture of distorted corner and edge-sharing OTm2In2 trigonal pyramids. In the second O2- site, O2- is bonded to two equivalent Tm3+ and two equivalent In3+ atoms to form a mixture of distorted corner and edge-sharing OTm2In2 trigonal pyramids.