Materials Data on ThHg3 by Materials Project

doi:10.17188/1680869

Title: Materials Data on ThHg3 by Materials Project

Dataset

Abstract

ThHg3 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to six equivalent Hg atoms. All Th–Hg bond lengths are 3.32 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 6-coordinate geometry to six equivalent Hg atoms. All Hg–Hg bond lengths are 3.14 Å. In the second Hg site, Hg is bonded in a 6-coordinate geometry to three equivalent Th and three equivalent Hg atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1217274

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; ThHg3; Hg-Th

OSTI Identifier:: 1680869

DOI:: https://doi.org/10.17188/1680869

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                    The Materials Project. Materials Data on ThHg3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1680869.

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                    The Materials Project. Materials Data on ThHg3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1680869

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                    The Materials Project. 2020.  
"Materials Data on ThHg3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1680869.  https://www.osti.gov/servlets/purl/1680869. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1680869,

  title        = {Materials Data on ThHg3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ThHg3 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to six equivalent Hg atoms. All Th–Hg bond lengths are 3.32 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 6-coordinate geometry to six equivalent Hg atoms. All Hg–Hg bond lengths are 3.14 Å. In the second Hg site, Hg is bonded in a 6-coordinate geometry to three equivalent Th and three equivalent Hg atoms.},

  doi          = {10.17188/1680869},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1680869

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