Materials Data on HgH10C3Br3N by Materials Project

doi:10.17188/1268342

Title: Materials Data on HgH10C3Br3N by Materials Project

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Abstract

HgBr3C3H7NH3 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four trimethylazanium molecules and two HgBr3 ribbons oriented in the (1, 0, 0) direction. In each HgBr3 ribbon, Hg2+ is bonded to four Br1- atoms to form corner-sharing HgBr4 trigonal pyramids. There are a spread of Hg–Br bond distances ranging from 2.60–3.02 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Hg2+ atom. In the second Br1- site, Br1- is bonded in a water-like geometry to two equivalent Hg2+ atoms. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Hg2+ atom.

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-571511

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; HgH10C3Br3N; Br-C-H-Hg-N

OSTI Identifier:: 1268342

DOI:: https://doi.org/10.17188/1268342

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                    The Materials Project. Materials Data on HgH10C3Br3N by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1268342.

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                    The Materials Project. Materials Data on HgH10C3Br3N by Materials Project.  United States.  doi:https://doi.org/10.17188/1268342

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                    The Materials Project. 2020.  
"Materials Data on HgH10C3Br3N by Materials Project".  United States.  doi:https://doi.org/10.17188/1268342.  https://www.osti.gov/servlets/purl/1268342. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1268342,

  title        = {Materials Data on HgH10C3Br3N by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HgBr3C3H7NH3 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four trimethylazanium molecules and two HgBr3 ribbons oriented in the (1, 0, 0) direction. In each HgBr3 ribbon, Hg2+ is bonded to four Br1- atoms to form corner-sharing HgBr4 trigonal pyramids. There are a spread of Hg–Br bond distances ranging from 2.60–3.02 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Hg2+ atom. In the second Br1- site, Br1- is bonded in a water-like geometry to two equivalent Hg2+ atoms. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Hg2+ atom.},

  doi          = {10.17188/1268342},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1268342

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