Materials Data on HgCN2 by Materials Project

doi:10.17188/1204300

Title: Materials Data on HgCN2 by Materials Project

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Abstract

HgCN2 crystallizes in the orthorhombic Pbca space group. The structure is one-dimensional and consists of four HgCN2 ribbons oriented in the (0, 0, 1) direction. Hg2+ is bonded in a 2-coordinate geometry to two N3- atoms. There are one shorter (2.07 Å) and one longer (2.08 Å) Hg–N bond lengths. C4+ is bonded in a linear geometry to two N3- atoms. Both C–N bond lengths are 1.24 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 120 degrees geometry to one Hg2+ and one C4+ atom. In the second N3- site, N3- is bonded in a distorted bent 120 degrees geometry to one Hg2+ and one C4+ atom.

Publication Date:: 2020-07-22

Other Number(s):: mp-29853

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; C-Hg-N; HgCN2; crystal structure

OSTI Identifier:: 1204300

DOI:: https://doi.org/10.17188/1204300

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                    Materials Data on HgCN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204300.

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                    Materials Data on HgCN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204300

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                    2020.  
"Materials Data on HgCN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204300.  https://www.osti.gov/servlets/purl/1204300. Pub date:Wed Jul 22 04:00:00 UTC 2020

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@article{osti_1204300,

  title        = {Materials Data on HgCN2 by Materials Project},

  
  abstractNote = {HgCN2 crystallizes in the orthorhombic Pbca space group. The structure is one-dimensional and consists of four HgCN2 ribbons oriented in the (0, 0, 1) direction. Hg2+ is bonded in a 2-coordinate geometry to two N3- atoms. There are one shorter (2.07 Å) and one longer (2.08 Å) Hg–N bond lengths. C4+ is bonded in a linear geometry to two N3- atoms. Both C–N bond lengths are 1.24 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 120 degrees geometry to one Hg2+ and one C4+ atom. In the second N3- site, N3- is bonded in a distorted bent 120 degrees geometry to one Hg2+ and one C4+ atom.},

  doi          = {10.17188/1204300},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1204300

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