Materials Data on LiHg3 by Materials Project

doi:10.17188/1314219

Title: Materials Data on LiHg3 by Materials Project

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Abstract

LiHg3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Li–Hg bond lengths are 3.10 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded to four equivalent Li and four equivalent Hg atoms to form a mixture of distorted corner, edge, and face-sharing HgLi4Hg4 tetrahedra. All Hg–Hg bond lengths are 3.10 Å. In the second Hg site, Hg is bonded in a body-centered cubic geometry to eight equivalent Hg atoms.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-973824

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; LiHg3; Hg-Li

OSTI Identifier:: 1314219

DOI:: https://doi.org/10.17188/1314219

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                    The Materials Project. Materials Data on LiHg3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314219.

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                    The Materials Project. Materials Data on LiHg3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1314219

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                    The Materials Project. 2020.  
"Materials Data on LiHg3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1314219.  https://www.osti.gov/servlets/purl/1314219. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1314219,

  title        = {Materials Data on LiHg3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiHg3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Li–Hg bond lengths are 3.10 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded to four equivalent Li and four equivalent Hg atoms to form a mixture of distorted corner, edge, and face-sharing HgLi4Hg4 tetrahedra. All Hg–Hg bond lengths are 3.10 Å. In the second Hg site, Hg is bonded in a body-centered cubic geometry to eight equivalent Hg atoms.},

  doi          = {10.17188/1314219},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1314219

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