Materials Data on Zn(Br2N)2 by Materials Project

doi:10.17188/1654931

Title: Materials Data on Zn(Br2N)2 by Materials Project

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Abstract

(ZnBr2)3ZnNBr3(BrN)7 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of twenty-eight bromamine molecules, four ZnNBr3 clusters, and twelve zinc dibromide molecules. In each ZnNBr3 cluster, Zn2+ is bonded in a distorted bent 150 degrees geometry to three Br1- atoms. There are a spread of Zn–Br bond distances ranging from 2.23–3.35 Å. N1+ is bonded in a single-bond geometry to one Br1- atom. The N–Br bond length is 1.78 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted water-like geometry to one Zn2+ and one N1+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Zn2+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Zn2+ atom.

Authors:: The Materials Project

Publication Date:: Thu Sep 05 00:00:00 EDT 2019

Other Number(s):: mp-1179163

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; Zn(Br2N)2; Br-N-Zn

OSTI Identifier:: 1654931

DOI:: https://doi.org/10.17188/1654931

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                    The Materials Project. Materials Data on Zn(Br2N)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1654931.

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                    The Materials Project. Materials Data on Zn(Br2N)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1654931

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                    The Materials Project. 2019.  
"Materials Data on Zn(Br2N)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1654931.  https://www.osti.gov/servlets/purl/1654931. Pub date:Thu Sep 05 00:00:00 EDT 2019

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@article{osti_1654931,

  title        = {Materials Data on Zn(Br2N)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(ZnBr2)3ZnNBr3(BrN)7 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of twenty-eight bromamine molecules, four ZnNBr3 clusters, and twelve zinc dibromide molecules. In each ZnNBr3 cluster, Zn2+ is bonded in a distorted bent 150 degrees geometry to three Br1- atoms. There are a spread of Zn–Br bond distances ranging from 2.23–3.35 Å. N1+ is bonded in a single-bond geometry to one Br1- atom. The N–Br bond length is 1.78 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted water-like geometry to one Zn2+ and one N1+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Zn2+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Zn2+ atom.},

  doi          = {10.17188/1654931},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Sep 05 00:00:00 EDT 2019},

  month        = {Thu Sep 05 00:00:00 EDT 2019}

}

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DOI: https://doi.org/10.17188/1654931

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