Materials Data on Hg3Rh by Materials Project

doi:10.17188/1736452

Title: Materials Data on Hg3Rh by Materials Project

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Abstract

RhHg3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rh is bonded to twelve equivalent Hg atoms to form RhHg12 cuboctahedra that share corners with six equivalent RhHg12 cuboctahedra, corners with twelve equivalent HgHg8Rh4 cuboctahedra, edges with eighteen equivalent HgHg8Rh4 cuboctahedra, faces with eight equivalent RhHg12 cuboctahedra, and faces with twelve equivalent HgHg8Rh4 cuboctahedra. There are six shorter (3.01 Å) and six longer (3.05 Å) Rh–Hg bond lengths. Hg is bonded to four equivalent Rh and eight equivalent Hg atoms to form distorted HgHg8Rh4 cuboctahedra that share corners with four equivalent RhHg12 cuboctahedra, corners with fourteen equivalent HgHg8Rh4 cuboctahedra, edges with six equivalent RhHg12 cuboctahedra, edges with twelve equivalent HgHg8Rh4 cuboctahedra, faces with four equivalent RhHg12 cuboctahedra, and faces with sixteen equivalent HgHg8Rh4 cuboctahedra. There are a spread of Hg–Hg bond distances ranging from 2.93–3.10 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1184727

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; Hg3Rh; Hg-Rh

OSTI Identifier:: 1736452

DOI:: https://doi.org/10.17188/1736452

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                    The Materials Project. Materials Data on Hg3Rh by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1736452.

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                    The Materials Project. Materials Data on Hg3Rh by Materials Project.  United States.  doi:https://doi.org/10.17188/1736452

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                    The Materials Project. 2020.  
"Materials Data on Hg3Rh by Materials Project".  United States.  doi:https://doi.org/10.17188/1736452.  https://www.osti.gov/servlets/purl/1736452. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1736452,

  title        = {Materials Data on Hg3Rh by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RhHg3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rh is bonded to twelve equivalent Hg atoms to form RhHg12 cuboctahedra that share corners with six equivalent RhHg12 cuboctahedra, corners with twelve equivalent HgHg8Rh4 cuboctahedra, edges with eighteen equivalent HgHg8Rh4 cuboctahedra, faces with eight equivalent RhHg12 cuboctahedra, and faces with twelve equivalent HgHg8Rh4 cuboctahedra. There are six shorter (3.01 Å) and six longer (3.05 Å) Rh–Hg bond lengths. Hg is bonded to four equivalent Rh and eight equivalent Hg atoms to form distorted HgHg8Rh4 cuboctahedra that share corners with four equivalent RhHg12 cuboctahedra, corners with fourteen equivalent HgHg8Rh4 cuboctahedra, edges with six equivalent RhHg12 cuboctahedra, edges with twelve equivalent HgHg8Rh4 cuboctahedra, faces with four equivalent RhHg12 cuboctahedra, and faces with sixteen equivalent HgHg8Rh4 cuboctahedra. There are a spread of Hg–Hg bond distances ranging from 2.93–3.10 Å.},

  doi          = {10.17188/1736452},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1736452

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