Materials Data on HgCN2O3 by Materials Project

doi:10.17188/1655728

Title: Materials Data on HgCN2O3 by Materials Project

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Abstract

HgCN(NO3) crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Hg2+ is bonded to one C4+, one N, and six equivalent O2- atoms to form distorted corner-sharing HgCNO6 hexagonal bipyramids. The Hg–C bond length is 2.07 Å. The Hg–N bond length is 2.12 Å. All Hg–O bond lengths are 2.75 Å. C4+ is bonded in a linear geometry to one Hg2+ and one N atom. The C–N bond length is 1.16 Å. There are two inequivalent N sites. In the first N site, N is bonded in a linear geometry to one Hg2+ and one C4+ atom. In the second N site, N is bonded in a trigonal planar geometry to three equivalent O2- atoms. All N–O bond lengths are 1.27 Å. O2- is bonded in a distorted single-bond geometry to two equivalent Hg2+ and one N atom.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-1224387

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; HgCN2O3; C-Hg-N-O

OSTI Identifier:: 1655728

DOI:: https://doi.org/10.17188/1655728

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                    The Materials Project. Materials Data on HgCN2O3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1655728.

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                    The Materials Project. Materials Data on HgCN2O3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1655728

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                    The Materials Project. 2020.  
"Materials Data on HgCN2O3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1655728.  https://www.osti.gov/servlets/purl/1655728. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1655728,

  title        = {Materials Data on HgCN2O3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HgCN(NO3) crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Hg2+ is bonded to one C4+, one N, and six equivalent O2- atoms to form distorted corner-sharing HgCNO6 hexagonal bipyramids. The Hg–C bond length is 2.07 Å. The Hg–N bond length is 2.12 Å. All Hg–O bond lengths are 2.75 Å. C4+ is bonded in a linear geometry to one Hg2+ and one N atom. The C–N bond length is 1.16 Å. There are two inequivalent N sites. In the first N site, N is bonded in a linear geometry to one Hg2+ and one C4+ atom. In the second N site, N is bonded in a trigonal planar geometry to three equivalent O2- atoms. All N–O bond lengths are 1.27 Å. O2- is bonded in a distorted single-bond geometry to two equivalent Hg2+ and one N atom.},

  doi          = {10.17188/1655728},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1655728

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