Materials Data on KHgC2 by Materials Project

doi:10.17188/1273842

Title: Materials Data on KHgC2 by Materials Project

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Abstract

KC2Hg crystallizes in the orthorhombic Fddd space group. The structure is two-dimensional and consists of four Hg sheets oriented in the (0, 0, 1) direction and four KC2 sheets oriented in the (0, 0, 1) direction. In each Hg sheet, Hg1+ is bonded in a trigonal planar geometry to three equivalent Hg1+ atoms. There are one shorter (2.96 Å) and two longer (3.00 Å) Hg–Hg bond lengths. In each KC2 sheet, K1+ is bonded in a distorted square co-planar geometry to four equivalent C1- atoms. All K–C bond lengths are 3.21 Å. C1- is bonded in a distorted square co-planar geometry to two equivalent K1+ and two equivalent C1- atoms. There is one shorter (1.29 Å) and one longer (1.30 Å) C–C bond length.

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-567381

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; KHgC2; C-Hg-K

OSTI Identifier:: 1273842

DOI:: https://doi.org/10.17188/1273842

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                    The Materials Project. Materials Data on KHgC2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1273842.

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                    The Materials Project. Materials Data on KHgC2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1273842

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                    The Materials Project. 2020.  
"Materials Data on KHgC2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1273842.  https://www.osti.gov/servlets/purl/1273842. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1273842,

  title        = {Materials Data on KHgC2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KC2Hg crystallizes in the orthorhombic Fddd space group. The structure is two-dimensional and consists of four Hg sheets oriented in the (0, 0, 1) direction and four KC2 sheets oriented in the (0, 0, 1) direction. In each Hg sheet, Hg1+ is bonded in a trigonal planar geometry to three equivalent Hg1+ atoms. There are one shorter (2.96 Å) and two longer (3.00 Å) Hg–Hg bond lengths. In each KC2 sheet, K1+ is bonded in a distorted square co-planar geometry to four equivalent C1- atoms. All K–C bond lengths are 3.21 Å. C1- is bonded in a distorted square co-planar geometry to two equivalent K1+ and two equivalent C1- atoms. There is one shorter (1.29 Å) and one longer (1.30 Å) C–C bond length.},

  doi          = {10.17188/1273842},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1273842

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