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DOE OSTI · 1270095

Materials Data on GaN5O14 by Materials Project

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Abstract

Ga(NO3)4NO2 crystallizes in the tetragonal I-4 space group. The structure is zero-dimensional and consists of two hydroxylamine, n-hydroxy- molecules and two Ga(NO3)4 clusters. In each Ga(NO3)4 cluster, Ga3+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Ga–O bond lengths are 1.90 Å. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.23–1.36 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 bent 120 degrees geometry to one Ga3+ and one N5+ atom.

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36 MATERIALS SCIENCEcrystal structureGa-N-OGaN5O14

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2020-07-17. Materials Data on GaN5O14 by Materials Project. https://doi.org/10.17188/1270095

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