Materials Data on NdScO3 by Materials Project
NdScO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.34–2.89 Å. Sc3+ is bonded to six O2- atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedra tilt angles range from 35–37°. There are two shorter (2.11 Å) and four longer (2.13 Å) Sc–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Nd3+ and two equivalent Sc3+ atoms. In the second O2- site, O2- is bonded to two equivalent Nd3+ and two equivalent Sc3+ atoms to form distorted corner-sharing ONd2Sc2 tetrahedra.