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DOE OSTI · 1653282

Materials Data on La2Fe(SeO)2 by Materials Project

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Abstract

La2Fe(SeO)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. La3+ is bonded in a 3-coordinate geometry to five equivalent Se2- and three equivalent O2- atoms. There are a spread of La–Se bond distances ranging from 3.16–3.37 Å. There are two shorter (2.35 Å) and one longer (2.41 Å) La–O bond lengths. Fe2+ is bonded in a distorted linear geometry to four equivalent Se2- and two equivalent O2- atoms. All Fe–Se bond lengths are 2.84 Å. Both Fe–O bond lengths are 2.05 Å. Se2- is bonded in a 7-coordinate geometry to five equivalent La3+ and two equivalent Fe2+ atoms. O2- is bonded to three equivalent La3+ and one Fe2+ atom to form a mixture of edge and corner-sharing OLa3Fe tetrahedra.

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36 MATERIALS SCIENCEcrystal structureFe-La-O-SeLa2Fe(SeO)2

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2020-07-16. Materials Data on La2Fe(SeO)2 by Materials Project. https://doi.org/10.17188/1653282

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