Materials Data on Rb5Hg19 by Materials Project

doi:10.17188/1205687

Title: Materials Data on Rb5Hg19 by Materials Project

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Abstract

Rb5Hg19 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 8-coordinate geometry to sixteen Hg atoms. There are eight shorter (3.91 Å) and eight longer (4.18 Å) Rb–Hg bond lengths. In the second Rb site, Rb is bonded in a 12-coordinate geometry to fifteen Hg atoms. There are a spread of Rb–Hg bond distances ranging from 3.79–4.25 Å. There are four inequivalent Hg sites. In the first Hg site, Hg is bonded in a 9-coordinate geometry to four Rb and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.08–3.23 Å. In the second Hg site, Hg is bonded in a 8-coordinate geometry to four equivalent Rb and four equivalent Hg atoms. In the third Hg site, Hg is bonded in a 10-coordinate geometry to four Rb and six Hg atoms. All Hg–Hg bond lengths are 3.31 Å. In the fourth Hg site, Hg is bonded in a distorted cuboctahedral geometry to four equivalent Rb and eight equivalent Hg atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-31472

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; Rb5Hg19; Hg-Rb

OSTI Identifier:: 1205687

DOI:: https://doi.org/10.17188/1205687

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                    The Materials Project. Materials Data on Rb5Hg19 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205687.

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                    The Materials Project. Materials Data on Rb5Hg19 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205687

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                    The Materials Project. 2020.  
"Materials Data on Rb5Hg19 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205687.  https://www.osti.gov/servlets/purl/1205687. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1205687,

  title        = {Materials Data on Rb5Hg19 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb5Hg19 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 8-coordinate geometry to sixteen Hg atoms. There are eight shorter (3.91 Å) and eight longer (4.18 Å) Rb–Hg bond lengths. In the second Rb site, Rb is bonded in a 12-coordinate geometry to fifteen Hg atoms. There are a spread of Rb–Hg bond distances ranging from 3.79–4.25 Å. There are four inequivalent Hg sites. In the first Hg site, Hg is bonded in a 9-coordinate geometry to four Rb and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.08–3.23 Å. In the second Hg site, Hg is bonded in a 8-coordinate geometry to four equivalent Rb and four equivalent Hg atoms. In the third Hg site, Hg is bonded in a 10-coordinate geometry to four Rb and six Hg atoms. All Hg–Hg bond lengths are 3.31 Å. In the fourth Hg site, Hg is bonded in a distorted cuboctahedral geometry to four equivalent Rb and eight equivalent Hg atoms.},

  doi          = {10.17188/1205687},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1205687

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