Materials Data on ZrHg3 by Materials Project

doi:10.17188/1191551

Title: Materials Data on ZrHg3 by Materials Project

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Abstract

ZrHg3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr is bonded to twelve equivalent Hg atoms to form ZrHg12 cuboctahedra that share corners with twelve equivalent ZrHg12 cuboctahedra, edges with twenty-four equivalent HgZr4Hg8 cuboctahedra, faces with six equivalent ZrHg12 cuboctahedra, and faces with twelve equivalent HgZr4Hg8 cuboctahedra. All Zr–Hg bond lengths are 3.15 Å. Hg is bonded to four equivalent Zr and eight equivalent Hg atoms to form distorted HgZr4Hg8 cuboctahedra that share corners with twelve equivalent HgZr4Hg8 cuboctahedra, edges with eight equivalent ZrHg12 cuboctahedra, edges with sixteen equivalent HgZr4Hg8 cuboctahedra, faces with four equivalent ZrHg12 cuboctahedra, and faces with fourteen equivalent HgZr4Hg8 cuboctahedra. All Hg–Hg bond lengths are 3.15 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-1608

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; ZrHg3; Hg-Zr

OSTI Identifier:: 1191551

DOI:: https://doi.org/10.17188/1191551

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                    The Materials Project. Materials Data on ZrHg3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1191551.

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                    The Materials Project. Materials Data on ZrHg3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1191551

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                    The Materials Project. 2020.  
"Materials Data on ZrHg3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1191551.  https://www.osti.gov/servlets/purl/1191551. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1191551,

  title        = {Materials Data on ZrHg3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ZrHg3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr is bonded to twelve equivalent Hg atoms to form ZrHg12 cuboctahedra that share corners with twelve equivalent ZrHg12 cuboctahedra, edges with twenty-four equivalent HgZr4Hg8 cuboctahedra, faces with six equivalent ZrHg12 cuboctahedra, and faces with twelve equivalent HgZr4Hg8 cuboctahedra. All Zr–Hg bond lengths are 3.15 Å. Hg is bonded to four equivalent Zr and eight equivalent Hg atoms to form distorted HgZr4Hg8 cuboctahedra that share corners with twelve equivalent HgZr4Hg8 cuboctahedra, edges with eight equivalent ZrHg12 cuboctahedra, edges with sixteen equivalent HgZr4Hg8 cuboctahedra, faces with four equivalent ZrHg12 cuboctahedra, and faces with fourteen equivalent HgZr4Hg8 cuboctahedra. All Hg–Hg bond lengths are 3.15 Å.},

  doi          = {10.17188/1191551},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1191551

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