Materials Data on Al(NO6)3 by Materials Project

doi:10.17188/1697742

Title: Materials Data on Al(NO6)3 by Materials Project

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Abstract

(AlO8)2(NO3)6O2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of twelve nitric acid molecules, two oxygen molecules, and four AlO8 clusters. In each AlO8 cluster, Al is bonded in a distorted trigonal bipyramidal geometry to five O atoms. There are a spread of Al–O bond distances ranging from 1.77–2.36 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Al atom. In the second O site, O is bonded in a distorted water-like geometry to two O atoms. There is one shorter (1.23 Å) and one longer (1.69 Å) O–O bond length. In the third O site, O is bonded in a bent 120 degrees geometry to one Al and one O atom. The O–O bond length is 1.24 Å. In the fourth O site, O is bonded in a single-bond geometry to one O atom. In the fifth O site, O is bonded in a distorted single-bond geometry to one Al and one O atom. In the sixth O site, O is bonded in a single-bond geometry to one O atom. In the seventh O site, O is bonded in a single-bond geometrymore »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-1204227

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; Al(NO6)3; Al-N-O

OSTI Identifier:: 1697742

DOI:: https://doi.org/10.17188/1697742

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                    The Materials Project. Materials Data on Al(NO6)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1697742.

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                    The Materials Project. Materials Data on Al(NO6)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1697742

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                    The Materials Project. 2020.  
"Materials Data on Al(NO6)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1697742.  https://www.osti.gov/servlets/purl/1697742. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1697742,

  title        = {Materials Data on Al(NO6)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(AlO8)2(NO3)6O2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of twelve nitric acid molecules, two oxygen molecules, and four AlO8 clusters. In each AlO8 cluster, Al is bonded in a distorted trigonal bipyramidal geometry to five O atoms. There are a spread of Al–O bond distances ranging from 1.77–2.36 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Al atom. In the second O site, O is bonded in a distorted water-like geometry to two O atoms. There is one shorter (1.23 Å) and one longer (1.69 Å) O–O bond length. In the third O site, O is bonded in a bent 120 degrees geometry to one Al and one O atom. The O–O bond length is 1.24 Å. In the fourth O site, O is bonded in a single-bond geometry to one O atom. In the fifth O site, O is bonded in a distorted single-bond geometry to one Al and one O atom. In the sixth O site, O is bonded in a single-bond geometry to one O atom. In the seventh O site, O is bonded in a single-bond geometry to one Al atom. In the eighth O site, O is bonded in a single-bond geometry to one Al atom.},

  doi          = {10.17188/1697742},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1697742

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