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DOE OSTI · 1681842

Materials Data on FeSnO3 by Materials Project

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Abstract

FeSnO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Fe2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Fe–O bond distances ranging from 2.09–2.20 Å. Sn4+ is bonded to six O2- atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedra tilt angles range from 44–46°. There are a spread of Sn–O bond distances ranging from 2.08–2.13 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Fe2+ and two equivalent Sn4+ atoms to form distorted corner-sharing OFe2Sn2 trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Fe2+ and two equivalent Sn4+ atoms.

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36 MATERIALS SCIENCEcrystal structureFe-O-SnFeSnO3

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2020-06-03. Materials Data on FeSnO3 by Materials Project. https://doi.org/10.17188/1681842

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