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Title: Materials Data on Na3Hg by Materials Project

Abstract

Na3Hg is alpha bismuth trifluoride structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a body-centered cubic geometry to eight equivalent Na atoms. There are six shorter (3.35 Å) and two longer (3.38 Å) Na–Na bond lengths. In the second Na site, Na is bonded to four equivalent Na and four equivalent Hg atoms to form a mixture of distorted edge, face, and corner-sharing NaNa4Hg4 tetrahedra. There are one shorter (3.29 Å) and three longer (3.38 Å) Na–Hg bond lengths. Hg is bonded in a body-centered cubic geometry to eight equivalent Na atoms.

Publication Date:
Other Number(s):
mp-29551
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; Na3Hg; Hg-Na
OSTI Identifier:
1204008
DOI:
https://doi.org/10.17188/1204008

Citation Formats

The Materials Project. Materials Data on Na3Hg by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204008.
The Materials Project. Materials Data on Na3Hg by Materials Project. United States. doi:https://doi.org/10.17188/1204008
The Materials Project. 2020. "Materials Data on Na3Hg by Materials Project". United States. doi:https://doi.org/10.17188/1204008. https://www.osti.gov/servlets/purl/1204008. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1204008,
title = {Materials Data on Na3Hg by Materials Project},
author = {The Materials Project},
abstractNote = {Na3Hg is alpha bismuth trifluoride structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a body-centered cubic geometry to eight equivalent Na atoms. There are six shorter (3.35 Å) and two longer (3.38 Å) Na–Na bond lengths. In the second Na site, Na is bonded to four equivalent Na and four equivalent Hg atoms to form a mixture of distorted edge, face, and corner-sharing NaNa4Hg4 tetrahedra. There are one shorter (3.29 Å) and three longer (3.38 Å) Na–Hg bond lengths. Hg is bonded in a body-centered cubic geometry to eight equivalent Na atoms.},
doi = {10.17188/1204008},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}