Materials Data on KHg3 by Materials Project

doi:10.17188/1748618

Title: Materials Data on KHg3 by Materials Project

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Abstract

KHg3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. K is bonded to twelve Hg atoms to form a mixture of edge, face, and corner-sharing KHg12 cuboctahedra. There are eight shorter (3.53 Å) and four longer (3.60 Å) K–Hg bond lengths. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded to four equivalent K atoms to form a mixture of distorted edge and corner-sharing HgK4 tetrahedra. In the second Hg site, Hg is bonded in a square co-planar geometry to four equivalent K atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-1185042

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; KHg3; Hg-K

OSTI Identifier:: 1748618

DOI:: https://doi.org/10.17188/1748618

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                    The Materials Project. Materials Data on KHg3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1748618.

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                    The Materials Project. Materials Data on KHg3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1748618

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                    The Materials Project. 2020.  
"Materials Data on KHg3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1748618.  https://www.osti.gov/servlets/purl/1748618. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1748618,

  title        = {Materials Data on KHg3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KHg3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. K is bonded to twelve Hg atoms to form a mixture of edge, face, and corner-sharing KHg12 cuboctahedra. There are eight shorter (3.53 Å) and four longer (3.60 Å) K–Hg bond lengths. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded to four equivalent K atoms to form a mixture of distorted edge and corner-sharing HgK4 tetrahedra. In the second Hg site, Hg is bonded in a square co-planar geometry to four equivalent K atoms.},

  doi          = {10.17188/1748618},

  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/10.17188/1748618

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