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Title: Materials Data on KHg by Materials Project

Abstract

KHg is delta Molybdenum Boride-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 7-coordinate geometry to eight Hg atoms. There are a spread of K–Hg bond distances ranging from 3.61–4.08 Å. In the second K site, K is bonded in a 7-coordinate geometry to seven Hg atoms. There are a spread of K–Hg bond distances ranging from 3.65–3.94 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 9-coordinate geometry to seven K and two equivalent Hg atoms. There are one shorter (3.08 Å) and one longer (3.11 Å) Hg–Hg bond lengths. In the second Hg site, Hg is bonded in a 10-coordinate geometry to eight K and two equivalent Hg atoms.

Publication Date:
Other Number(s):
mp-11462
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; KHg; Hg-K
OSTI Identifier:
1187853
DOI:
https://doi.org/10.17188/1187853

Citation Formats

The Materials Project. Materials Data on KHg by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187853.
The Materials Project. Materials Data on KHg by Materials Project. United States. doi:https://doi.org/10.17188/1187853
The Materials Project. 2020. "Materials Data on KHg by Materials Project". United States. doi:https://doi.org/10.17188/1187853. https://www.osti.gov/servlets/purl/1187853. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187853,
title = {Materials Data on KHg by Materials Project},
author = {The Materials Project},
abstractNote = {KHg is delta Molybdenum Boride-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 7-coordinate geometry to eight Hg atoms. There are a spread of K–Hg bond distances ranging from 3.61–4.08 Å. In the second K site, K is bonded in a 7-coordinate geometry to seven Hg atoms. There are a spread of K–Hg bond distances ranging from 3.65–3.94 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 9-coordinate geometry to seven K and two equivalent Hg atoms. There are one shorter (3.08 Å) and one longer (3.11 Å) Hg–Hg bond lengths. In the second Hg site, Hg is bonded in a 10-coordinate geometry to eight K and two equivalent Hg atoms.},
doi = {10.17188/1187853},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}