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Title: Materials Data on HgBi3 by Materials Project

Abstract

HgBi3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Hg is bonded in a distorted body-centered cubic geometry to eight equivalent Bi atoms. All Hg–Bi bond lengths are 3.45 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to four equivalent Hg and eight Bi atoms to form a mixture of distorted corner, edge, and face-sharing BiHg4Bi8 cuboctahedra. There are four shorter (3.45 Å) and four longer (3.61 Å) Bi–Bi bond lengths. In the second Bi site, Bi is bonded in a distorted body-centered cubic geometry to eight equivalent Bi atoms.

Authors:
Publication Date:
Other Number(s):
mp-1184679
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; HgBi3; Bi-Hg
OSTI Identifier:
1758420
DOI:
https://doi.org/10.17188/1758420

Citation Formats

The Materials Project. Materials Data on HgBi3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758420.
The Materials Project. Materials Data on HgBi3 by Materials Project. United States. doi:https://doi.org/10.17188/1758420
The Materials Project. 2020. "Materials Data on HgBi3 by Materials Project". United States. doi:https://doi.org/10.17188/1758420. https://www.osti.gov/servlets/purl/1758420. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758420,
title = {Materials Data on HgBi3 by Materials Project},
author = {The Materials Project},
abstractNote = {HgBi3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Hg is bonded in a distorted body-centered cubic geometry to eight equivalent Bi atoms. All Hg–Bi bond lengths are 3.45 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to four equivalent Hg and eight Bi atoms to form a mixture of distorted corner, edge, and face-sharing BiHg4Bi8 cuboctahedra. There are four shorter (3.45 Å) and four longer (3.61 Å) Bi–Bi bond lengths. In the second Bi site, Bi is bonded in a distorted body-centered cubic geometry to eight equivalent Bi atoms.},
doi = {10.17188/1758420},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}