Materials Data on Hg3Rh by Materials Project

doi:10.17188/1314802

Title: Materials Data on Hg3Rh by Materials Project

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Abstract

RhHg3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rh is bonded to twelve Hg atoms to form RhHg12 cuboctahedra that share corners with four equivalent RhHg12 cuboctahedra, edges with eight equivalent RhHg12 cuboctahedra, edges with sixteen equivalent HgHg8Rh4 cuboctahedra, faces with four equivalent RhHg12 cuboctahedra, and faces with eight equivalent HgHg8Rh4 cuboctahedra. There are four shorter (2.94 Å) and eight longer (3.10 Å) Rh–Hg bond lengths. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded to four equivalent Rh and eight Hg atoms to form HgHg8Rh4 cuboctahedra that share corners with twelve equivalent HgHg8Rh4 cuboctahedra, edges with eight equivalent RhHg12 cuboctahedra, edges with eight equivalent HgHg8Rh4 cuboctahedra, faces with four equivalent RhHg12 cuboctahedra, and faces with ten equivalent HgHg8Rh4 cuboctahedra. There are four shorter (2.94 Å) and four longer (3.10 Å) Hg–Hg bond lengths. In the second Hg site, Hg is bonded in a distorted square co-planar geometry to four equivalent Rh and eight equivalent Hg atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-975452

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:: 1314802

DOI:: https://doi.org/10.17188/1314802

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                    The Materials Project. Materials Data on Hg3Rh by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314802.

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                    The Materials Project. Materials Data on Hg3Rh by Materials Project.  United States.  doi:https://doi.org/10.17188/1314802

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                    The Materials Project. 2020.  
"Materials Data on Hg3Rh by Materials Project".  United States.  doi:https://doi.org/10.17188/1314802.  https://www.osti.gov/servlets/purl/1314802. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1314802,

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

  author       = {The Materials Project},

  abstractNote = {RhHg3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rh is bonded to twelve Hg atoms to form RhHg12 cuboctahedra that share corners with four equivalent RhHg12 cuboctahedra, edges with eight equivalent RhHg12 cuboctahedra, edges with sixteen equivalent HgHg8Rh4 cuboctahedra, faces with four equivalent RhHg12 cuboctahedra, and faces with eight equivalent HgHg8Rh4 cuboctahedra. There are four shorter (2.94 Å) and eight longer (3.10 Å) Rh–Hg bond lengths. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded to four equivalent Rh and eight Hg atoms to form HgHg8Rh4 cuboctahedra that share corners with twelve equivalent HgHg8Rh4 cuboctahedra, edges with eight equivalent RhHg12 cuboctahedra, edges with eight equivalent HgHg8Rh4 cuboctahedra, faces with four equivalent RhHg12 cuboctahedra, and faces with ten equivalent HgHg8Rh4 cuboctahedra. There are four shorter (2.94 Å) and four longer (3.10 Å) Hg–Hg bond lengths. In the second Hg site, Hg is bonded in a distorted square co-planar geometry to four equivalent Rh and eight equivalent Hg atoms.},

  doi          = {10.17188/1314802},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1314802

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