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DOE OSTI · 1695014

Materials Data on HNO3 by Materials Project

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Abstract

HNO3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight nitric acid molecules. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.22–1.38 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the third O2- site, O2- is bonded in a water-like geometry to one N5+ and one H1+ atom.

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36 MATERIALS SCIENCEcrystal structureH-N-OHNO3

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2019-01-12. Materials Data on HNO3 by Materials Project. https://doi.org/10.17188/1695014

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