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DOE OSTI · 1663036

Materials Data on La3Nb(ClO2)3 by Materials Project

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Abstract

La3Nb(O2Cl)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. La is bonded in a 10-coordinate geometry to six equivalent O and four equivalent Cl atoms. There are a spread of La–O bond distances ranging from 2.44–2.70 Å. There are three shorter (3.06 Å) and one longer (3.11 Å) La–Cl bond lengths. Nb is bonded in a distorted pentagonal pyramidal geometry to six equivalent O atoms. All Nb–O bond lengths are 2.02 Å. O is bonded to three equivalent La and one Nb atom to form a mixture of edge and corner-sharing OLa3Nb tetrahedra. Cl is bonded in a see-saw-like geometry to four equivalent La atoms.

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36 MATERIALS SCIENCECl-La-Nb-Ocrystal structureLa3Nb(ClO2)3

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2020-05-02. Materials Data on La3Nb(ClO2)3 by Materials Project. https://doi.org/10.17188/1663036

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