Materials Data on Sr2Gd(FeO3)3 by Materials Project
Sr2Gd(FeO3)3 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of Sr–O bond distances ranging from 2.52–3.05 Å. Gd is bonded in a 12-coordinate geometry to five O atoms. There are a spread of Gd–O bond distances ranging from 2.36–2.47 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six O atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedra tilt angles range from 11–27°. There are a spread of Fe–O bond distances ranging from 1.95–2.01 Å. In the second Fe site, Fe is bonded to six O atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedra tilt angles range from 11–18°. There is four shorter (1.97 Å) and two longer (1.98 Å) Fe–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to two equivalent Sr, one Gd, and two equivalent Fe atoms. In the second O site, O is bonded in a 6-coordinate geometry to three equivalent Sr and two Fe atoms. In the third O site, O is bonded in a 5-coordinate geometry to two equivalent Sr, one Gd, and two equivalent Fe atoms. In the fourth O site, O is bonded in a 6-coordinate geometry to three equivalent Sr and two Fe atoms. In the fifth O site, O is bonded in a 6-coordinate geometry to three equivalent Sr, one Gd, and two Fe atoms.