Title: Materials Data on KHgC2 by Materials Project

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.

Publication Date:
Other Number(s):
mp-567381
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; C-Hg-K; crystal structure; KHgC2
OSTI Identifier:
1273842
DOI:
https://doi.org/10.17188/1273842

Citation Formats

Materials Data on KHgC2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1273842.
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Materials Data on KHgC2 by Materials Project. United States. doi:https://doi.org/10.17188/1273842
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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:Tue Apr 28 20:00:00 EDT 2020
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@article{osti_1273842,
title = {Materials Data on KHgC2 by 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 = {2020},
month = {4}
}
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DOI: https://doi.org/10.17188/1273842
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