Materials Data on Fe2O3 by Materials Project

Kristin Persson
Fe2O3 crystallizes in the trigonal P3 space group. The structure is three-dimensional. there are eight inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to four O2- atoms to form distorted FeO4 trigonal pyramids that share corners with two FeO6 octahedra, corners with six equivalent FeO4 trigonal pyramids, and an edgeedge with one FeO6 octahedra. The corner-sharing octahedra tilt angles range from 18–49°. There are a spread of Fe–O bond distances ranging from...
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