Materials Data on NbHg3F6 by Materials Project

doi:10.17188/1202475

Title: Materials Data on NbHg3F6 by Materials Project

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Abstract

(Hg)2NbHgF6 crystallizes in the trigonal P-31m space group. The structure is one-dimensional and consists of two mercury molecules and one NbHgF6 ribbon oriented in the (0, 0, 1) direction. In the NbHgF6 ribbon, Nb2+ is bonded to six equivalent F1- atoms to form NbF6 octahedra that share faces with two equivalent HgF6 cuboctahedra. All Nb–F bond lengths are 1.94 Å. Hg+1.33+ is bonded to six equivalent F1- atoms to form distorted HgF6 cuboctahedra that share faces with two equivalent NbF6 octahedra. All Hg–F bond lengths are 3.11 Å. F1- is bonded in a single-bond geometry to one Nb2+ and one Hg+1.33+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-28357

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; NbHg3F6; F-Hg-Nb

OSTI Identifier:: 1202475

DOI:: https://doi.org/10.17188/1202475

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                    The Materials Project. Materials Data on NbHg3F6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202475.

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                    The Materials Project. Materials Data on NbHg3F6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202475

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                    The Materials Project. 2020.  
"Materials Data on NbHg3F6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202475.  https://www.osti.gov/servlets/purl/1202475. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1202475,

  title        = {Materials Data on NbHg3F6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(Hg)2NbHgF6 crystallizes in the trigonal P-31m space group. The structure is one-dimensional and consists of two mercury molecules and one NbHgF6 ribbon oriented in the (0, 0, 1) direction. In the NbHgF6 ribbon, Nb2+ is bonded to six equivalent F1- atoms to form NbF6 octahedra that share faces with two equivalent HgF6 cuboctahedra. All Nb–F bond lengths are 1.94 Å. Hg+1.33+ is bonded to six equivalent F1- atoms to form distorted HgF6 cuboctahedra that share faces with two equivalent NbF6 octahedra. All Hg–F bond lengths are 3.11 Å. F1- is bonded in a single-bond geometry to one Nb2+ and one Hg+1.33+ atom.},

  doi          = {10.17188/1202475},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1202475

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