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Title: Materials Data on KHg3 by Materials Project

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:
Publication Date:
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

Citation Formats

The Materials Project. Materials Data on KHg3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748618.
The Materials Project. Materials Data on KHg3 by Materials Project. United States. doi:https://doi.org/10.17188/1748618
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
@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 = {2020},
month = {5}
}