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DOE OSTI · 1316939

Materials Data on LaWN3 by Materials Project

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Abstract

LaWN3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. La3+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of La–N bond distances ranging from 2.45–2.63 Å. W6+ is bonded to five N3- atoms to form a mixture of distorted corner and edge-sharing WN5 trigonal bipyramids. There are a spread of W–N bond distances ranging from 1.81–2.12 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to three equivalent La3+ and one W6+ atom to form a mixture of distorted corner and edge-sharing NLa3W tetrahedra. In the second N3- site, N3- is bonded to one La3+ and three equivalent W6+ atoms to form a mixture of distorted corner and edge-sharing NLaW3 tetrahedra. In the third N3- site, N3- is bonded in a distorted trigonal planar geometry to two equivalent La3+ and one W6+ atom.

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36 MATERIALS SCIENCEcrystal structureLa-N-WLaWN3

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2020-07-22. Materials Data on LaWN3 by Materials Project. https://doi.org/10.17188/1316939

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