Materials Data on HgH16(Br3N2)2 by Materials Project

doi:10.17188/1678659

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 tetragonal P4/mnc 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 two shorter (2.55 Å) and four longer (3.24 Å) Hg–Br bond lengths. There are two 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 1-coordinate geometry to one Hg2+ atom.

Publication Date:: 2020-04-29

Other Number(s):: mp-1203456

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

OSTI Identifier:: 1678659

DOI:: https://doi.org/10.17188/1678659

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                    Materials Data on HgH16(Br3N2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1678659.

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                    Materials Data on HgH16(Br3N2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1678659

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                    2020.  
"Materials Data on HgH16(Br3N2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1678659.  https://www.osti.gov/servlets/purl/1678659. Pub date:Wed Apr 29 04:00:00 UTC 2020

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@article{osti_1678659,

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

  
  abstractNote = {(NH4)4HgBr6 is Silicon tetrafluoride-derived structured and crystallizes in the tetragonal P4/mnc 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 two shorter (2.55 Å) and four longer (3.24 Å) Hg–Br bond lengths. There are two 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 1-coordinate geometry to one Hg2+ atom.},

  doi          = {10.17188/1678659},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1678659

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Materials Data on HgH16(Br3N2)2 by Materials Project

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