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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; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; KHgC2; C-Hg-K
OSTI Identifier:
1273842
DOI:
https://doi.org/10.17188/1273842

Citation Formats

The Materials Project. Materials Data on KHgC2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1273842.
The Materials Project. Materials Data on KHgC2 by Materials Project. United States. doi:https://doi.org/10.17188/1273842
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
@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 = {2020},
month = {4}
}