Materials Data on HgH16(Br3N2)2 by Materials Project

doi:10.17188/1272973

Title: Materials Data on HgH16(Br3N2)2 by Materials Project

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Abstract

(NH4)4HgBr6 is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pnnm space group. The structure is zero-dimensional and consists of eight ammonium molecules and two HgBr6 clusters. In each HgBr6 cluster, Hg2+ is bonded in a distorted octahedral geometry to six Br1- atoms. There are a spread of Hg–Br bond distances ranging from 2.58–3.29 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to one Hg2+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Hg2+ atom. 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-604304

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; HgH16(Br3N2)2; Br-H-Hg-N

OSTI Identifier:: 1272973

DOI:: https://doi.org/10.17188/1272973

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                    The Materials Project. Materials Data on HgH16(Br3N2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1272973.

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                    The Materials Project. Materials Data on HgH16(Br3N2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1272973

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                    The Materials Project. 2020.  
"Materials Data on HgH16(Br3N2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1272973.  https://www.osti.gov/servlets/purl/1272973. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1272973,

  title        = {Materials Data on HgH16(Br3N2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(NH4)4HgBr6 is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pnnm space group. The structure is zero-dimensional and consists of eight ammonium molecules and two HgBr6 clusters. In each HgBr6 cluster, Hg2+ is bonded in a distorted octahedral geometry to six Br1- atoms. There are a spread of Hg–Br bond distances ranging from 2.58–3.29 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to one Hg2+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Hg2+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Hg2+ atom.},

  doi          = {10.17188/1272973},

  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/10.17188/1272973

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Materials Data on HgH16(Br3N2)2 by Materials Project

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(NH4)4HgBr6 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight ammonium molecules and two HgBr6 clusters. In each HgBr6 cluster, Hg2+ is bonded in a distorted octahedral geometry to six Br1- atoms. There are a spread of Hg–Br bond distances ranging from 2.58–3.24 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to one Hg2+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Hg2+ atom. In the third Br1- site, Br1- ismore »« less
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