Materials Data on CuH3NCl by Materials Project

doi:10.17188/1311613

Title: Materials Data on CuH3NCl by Materials Project

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Abstract

CuNH3Cl is Graphite-like structured and crystallizes in the cubic I2_13 space group. The structure is zero-dimensional and consists of eight CuNH3Cl clusters. Cu1+ is bonded in a linear geometry to one N3- and one Cl1- atom. The Cu–N bond length is 1.91 Å. The Cu–Cl bond length is 2.12 Å. N3- is bonded in a distorted tetrahedral geometry to one Cu1+ and three equivalent H1+ atoms. All N–H bond lengths are 1.03 Å. H1+ is bonded in a single-bond geometry to one N3- atom. Cl1- is bonded in a single-bond geometry to one Cu1+ atom.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-866635

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; CuH3NCl; Cl-Cu-H-N

OSTI Identifier:: 1311613

DOI:: https://doi.org/10.17188/1311613

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                    The Materials Project. Materials Data on CuH3NCl by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1311613.

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                    The Materials Project. Materials Data on CuH3NCl by Materials Project.  United States.  doi:https://doi.org/10.17188/1311613

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                    The Materials Project. 2020.  
"Materials Data on CuH3NCl by Materials Project".  United States.  doi:https://doi.org/10.17188/1311613.  https://www.osti.gov/servlets/purl/1311613. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1311613,

  title        = {Materials Data on CuH3NCl by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CuNH3Cl is Graphite-like structured and crystallizes in the cubic I2_13 space group. The structure is zero-dimensional and consists of eight CuNH3Cl clusters. Cu1+ is bonded in a linear geometry to one N3- and one Cl1- atom. The Cu–N bond length is 1.91 Å. The Cu–Cl bond length is 2.12 Å. N3- is bonded in a distorted tetrahedral geometry to one Cu1+ and three equivalent H1+ atoms. All N–H bond lengths are 1.03 Å. H1+ is bonded in a single-bond geometry to one N3- atom. Cl1- is bonded in a single-bond geometry to one Cu1+ atom.},

  doi          = {10.17188/1311613},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1311613

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