Materials Data on GaN5O14 by Materials Project

doi:10.17188/1266329

Title: Materials Data on GaN5O14 by Materials Project

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Abstract

Ga(NO3)4NO2 crystallizes in the monoclinic C2 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 6-coordinate geometry to six O2- atoms. There are a spread of Ga–O bond distances ranging from 1.92–2.31 Å. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.23–1.35 Å. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.22–1.34 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Ga3+ and 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 single-bond geometry to one N5+ atom. In the fourth O2- site, O2- is bonded in a water-like geometry to one Ga3+ and one N5+ atom. In the fifth O2- site, O2- is bondedmore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-541950

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; GaN5O14; Ga-N-O

OSTI Identifier:: 1266329

DOI:: https://doi.org/10.17188/1266329

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                    The Materials Project. Materials Data on GaN5O14 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1266329.

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                    The Materials Project. Materials Data on GaN5O14 by Materials Project.  United States.  doi:https://doi.org/10.17188/1266329

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                    The Materials Project. 2020.  
"Materials Data on GaN5O14 by Materials Project".  United States.  doi:https://doi.org/10.17188/1266329.  https://www.osti.gov/servlets/purl/1266329. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1266329,

  title        = {Materials Data on GaN5O14 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ga(NO3)4NO2 crystallizes in the monoclinic C2 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 6-coordinate geometry to six O2- atoms. There are a spread of Ga–O bond distances ranging from 1.92–2.31 Å. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.23–1.35 Å. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.22–1.34 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Ga3+ and 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 single-bond geometry to one N5+ atom. In the fourth O2- site, O2- is bonded in a water-like geometry to one Ga3+ and one N5+ atom. In the fifth O2- site, O2- is bonded in a distorted L-shaped geometry to one Ga3+ and one N5+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one N5+ atom.},

  doi          = {10.17188/1266329},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1266329

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