Materials Data on AlBr3N by Materials Project

doi:10.17188/1707309

Title: Materials Data on AlBr3N by Materials Project

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Abstract

AlNBr3 is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of sixteen AlNBr3 clusters. Al is bonded in a trigonal pyramidal geometry to one N and three Br atoms. The Al–N bond length is 2.02 Å. There are one shorter (2.27 Å) and two longer (2.29 Å) Al–Br bond lengths. N is bonded in a single-bond geometry to one Al atom. There are three inequivalent Br sites. In the first Br site, Br is bonded in a single-bond geometry to one Al atom. In the second Br site, Br is bonded in a single-bond geometry to one Al atom. In the third Br site, Br is bonded in a single-bond geometry to one Al atom.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1202918

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; AlBr3N; Al-Br-N

OSTI Identifier:: 1707309

DOI:: https://doi.org/10.17188/1707309

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                    The Materials Project. Materials Data on AlBr3N by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1707309.

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                    The Materials Project. Materials Data on AlBr3N by Materials Project.  United States.  doi:https://doi.org/10.17188/1707309

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                    The Materials Project. 2020.  
"Materials Data on AlBr3N by Materials Project".  United States.  doi:https://doi.org/10.17188/1707309.  https://www.osti.gov/servlets/purl/1707309. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1707309,

  title        = {Materials Data on AlBr3N by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AlNBr3 is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of sixteen AlNBr3 clusters. Al is bonded in a trigonal pyramidal geometry to one N and three Br atoms. The Al–N bond length is 2.02 Å. There are one shorter (2.27 Å) and two longer (2.29 Å) Al–Br bond lengths. N is bonded in a single-bond geometry to one Al atom. There are three inequivalent Br sites. In the first Br site, Br is bonded in a single-bond geometry to one Al atom. In the second Br site, Br is bonded in a single-bond geometry to one Al atom. In the third Br site, Br is bonded in a single-bond geometry to one Al atom.},

  doi          = {10.17188/1707309},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1707309

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