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Title: Materials Data on KSi2Hg by Materials Project

Abstract

KHgSi2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. K is bonded in a distorted body-centered cubic geometry to four equivalent Hg and ten Si atoms. All K–Hg bond lengths are 3.13 Å. There are four shorter (3.13 Å) and six longer (3.61 Å) K–Si bond lengths. Hg is bonded to four equivalent K and four equivalent Si atoms to form distorted HgK4Si4 tetrahedra that share corners with four equivalent SiK4 tetrahedra, edges with six equivalent SiK4 tetrahedra, and edges with twelve equivalent HgK4Si4 tetrahedra. All Hg–Si bond lengths are 3.13 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded to four equivalent K atoms to form SiK4 tetrahedra that share corners with four equivalent HgK4Si4 tetrahedra, corners with twelve equivalent SiK4 tetrahedra, and edges with six equivalent HgK4Si4 tetrahedra. In the second Si site, Si is bonded in a 10-coordinate geometry to six equivalent K and four equivalent Hg atoms.

Publication Date:
Other Number(s):
mp-631408
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; KSi2Hg; Hg-K-Si
OSTI Identifier:
1279130
DOI:
10.17188/1279130

Citation Formats

The Materials Project. Materials Data on KSi2Hg by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279130.
The Materials Project. Materials Data on KSi2Hg by Materials Project. United States. doi:10.17188/1279130.
The Materials Project. 2020. "Materials Data on KSi2Hg by Materials Project". United States. doi:10.17188/1279130. https://www.osti.gov/servlets/purl/1279130. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1279130,
title = {Materials Data on KSi2Hg by Materials Project},
author = {The Materials Project},
abstractNote = {KHgSi2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. K is bonded in a distorted body-centered cubic geometry to four equivalent Hg and ten Si atoms. All K–Hg bond lengths are 3.13 Å. There are four shorter (3.13 Å) and six longer (3.61 Å) K–Si bond lengths. Hg is bonded to four equivalent K and four equivalent Si atoms to form distorted HgK4Si4 tetrahedra that share corners with four equivalent SiK4 tetrahedra, edges with six equivalent SiK4 tetrahedra, and edges with twelve equivalent HgK4Si4 tetrahedra. All Hg–Si bond lengths are 3.13 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded to four equivalent K atoms to form SiK4 tetrahedra that share corners with four equivalent HgK4Si4 tetrahedra, corners with twelve equivalent SiK4 tetrahedra, and edges with six equivalent HgK4Si4 tetrahedra. In the second Si site, Si is bonded in a 10-coordinate geometry to six equivalent K and four equivalent Hg atoms.},
doi = {10.17188/1279130},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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