Materials Data on CuH12(N5O4)2 by Materials Project

doi:10.17188/1269567

Title: Materials Data on CuH12(N5O4)2 by Materials Project

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Abstract

CuO4N2N2(NH3)4(NO2)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ammonia molecules; four ammonia molecules; two hydroxylamine, n-hydroxy- molecules; and one CuO4N2 cluster. In the CuO4N2 cluster, Cu2+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 2.65 Å. N+0.20+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.25 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Cu2+ and one N+0.20+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N+0.20+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-24

Other Number(s):: mp-556842

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; CuH12(N5O4)2; Cu-H-N-O

OSTI Identifier:: 1269567

DOI:: https://doi.org/10.17188/1269567

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                    The Materials Project. Materials Data on CuH12(N5O4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269567.

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                    The Materials Project. Materials Data on CuH12(N5O4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1269567

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                    The Materials Project. 2020.  
"Materials Data on CuH12(N5O4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1269567.  https://www.osti.gov/servlets/purl/1269567. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1269567,

  title        = {Materials Data on CuH12(N5O4)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CuO4N2N2(NH3)4(NO2)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ammonia molecules; four ammonia molecules; two hydroxylamine, n-hydroxy- molecules; and one CuO4N2 cluster. In the CuO4N2 cluster, Cu2+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 2.65 Å. N+0.20+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.25 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Cu2+ and one N+0.20+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N+0.20+ atom.},

  doi          = {10.17188/1269567},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1269567

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