Materials Data on Fe3O4 by Materials Project

Kristin Persson
Fe3O4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Fe+2.67+ sites. In the first Fe+2.67+ site, Fe+2.67+ is bonded in a 6-coordinate geometry to six O2- atoms. There are two shorter (2.13 Å) and four longer (2.29 Å) Fe–O bond lengths. In the second Fe+2.67+ site, Fe+2.67+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedra tilt angles...
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