Materials Data on RbHg11 by Materials Project

doi:10.17188/1188480

Title: Materials Data on RbHg11 by Materials Project

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Abstract

RbHg11 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb is bonded to twelve Hg atoms to form RbHg12 cuboctahedra that share corners with four equivalent HgHg12 cuboctahedra and corners with eight equivalent RbHg12 cuboctahedra. There are eight shorter (3.96 Å) and four longer (3.97 Å) Rb–Hg bond lengths. There are four inequivalent Hg sites. In the first Hg site, Hg is bonded to twelve equivalent Hg atoms to form distorted HgHg12 cuboctahedra that share corners with twelve equivalent RbHg12 cuboctahedra. All Hg–Hg bond lengths are 3.42 Å. In the second Hg site, Hg is bonded in a 6-coordinate geometry to six Hg atoms. There are three shorter (3.20 Å) and three longer (3.26 Å) Hg–Hg bond lengths. In the third Hg site, Hg is bonded in a distorted single-bond geometry to one Rb and five Hg atoms. All Hg–Hg bond lengths are 3.34 Å. In the fourth Hg site, Hg is bonded in a 10-coordinate geometry to two equivalent Rb and eight Hg atoms. Both Hg–Hg bond lengths are 3.23 Å.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-11953

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; RbHg11; Hg-Rb

OSTI Identifier:: 1188480

DOI:: https://doi.org/10.17188/1188480

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                    The Materials Project. Materials Data on RbHg11 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1188480.

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                    The Materials Project. Materials Data on RbHg11 by Materials Project.  United States.  doi:https://doi.org/10.17188/1188480

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                    The Materials Project. 2020.  
"Materials Data on RbHg11 by Materials Project".  United States.  doi:https://doi.org/10.17188/1188480.  https://www.osti.gov/servlets/purl/1188480. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1188480,

  title        = {Materials Data on RbHg11 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbHg11 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb is bonded to twelve Hg atoms to form RbHg12 cuboctahedra that share corners with four equivalent HgHg12 cuboctahedra and corners with eight equivalent RbHg12 cuboctahedra. There are eight shorter (3.96 Å) and four longer (3.97 Å) Rb–Hg bond lengths. There are four inequivalent Hg sites. In the first Hg site, Hg is bonded to twelve equivalent Hg atoms to form distorted HgHg12 cuboctahedra that share corners with twelve equivalent RbHg12 cuboctahedra. All Hg–Hg bond lengths are 3.42 Å. In the second Hg site, Hg is bonded in a 6-coordinate geometry to six Hg atoms. There are three shorter (3.20 Å) and three longer (3.26 Å) Hg–Hg bond lengths. In the third Hg site, Hg is bonded in a distorted single-bond geometry to one Rb and five Hg atoms. All Hg–Hg bond lengths are 3.34 Å. In the fourth Hg site, Hg is bonded in a 10-coordinate geometry to two equivalent Rb and eight Hg atoms. Both Hg–Hg bond lengths are 3.23 Å.},

  doi          = {10.17188/1188480},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1188480

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