Materials Data on H3NCl by Materials Project

doi:10.17188/1291611

Title: Materials Data on H3NCl by Materials Project

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Abstract

NH3Cl is Copper structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of four NH3Cl clusters. N2- is bonded in a trigonal non-coplanar geometry to three equivalent H1+ and one Cl1- atom. All N–H bond lengths are 1.02 Å. The N–Cl bond length is 2.46 Å. H1+ is bonded in a single-bond geometry to one N2- atom. Cl1- is bonded in a linear geometry to one N2- and one Cl1- atom. The Cl–Cl bond length is 2.24 Å.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-760361

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; H3NCl; Cl-H-N

OSTI Identifier:: 1291611

DOI:: https://doi.org/10.17188/1291611

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                    The Materials Project. Materials Data on H3NCl by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1291611.

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                    The Materials Project. Materials Data on H3NCl by Materials Project.  United States.  doi:https://doi.org/10.17188/1291611

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                    The Materials Project. 2020.  
"Materials Data on H3NCl by Materials Project".  United States.  doi:https://doi.org/10.17188/1291611.  https://www.osti.gov/servlets/purl/1291611. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1291611,

  title        = {Materials Data on H3NCl by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NH3Cl is Copper structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of four NH3Cl clusters. N2- is bonded in a trigonal non-coplanar geometry to three equivalent H1+ and one Cl1- atom. All N–H bond lengths are 1.02 Å. The N–Cl bond length is 2.46 Å. H1+ is bonded in a single-bond geometry to one N2- atom. Cl1- is bonded in a linear geometry to one N2- and one Cl1- atom. The Cl–Cl bond length is 2.24 Å.},

  doi          = {10.17188/1291611},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1291611

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