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Title: Materials Data on Hg by Materials Project

Abstract

Hg crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional and consists of eight mercury molecules and one Hg framework. In the Hg framework, there are ten inequivalent Hg sites. In the first Hg site, Hg is bonded in a 5-coordinate geometry to five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.28–3.33 Å. In the second Hg site, Hg is bonded in a 5-coordinate geometry to five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.28–3.34 Å. In the third Hg site, Hg is bonded in a 5-coordinate geometry to five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.28–3.34 Å. In the fourth Hg site, Hg is bonded in a 6-coordinate geometry to six Hg atoms. There are two shorter (3.25 Å) and two longer (3.26 Å) Hg–Hg bond lengths. In the fifth Hg site, Hg is bonded in a 6-coordinate geometry to six Hg atoms. There are two shorter (3.25 Å) and two longer (3.26 Å) Hg–Hg bond lengths. In the sixth Hg site, Hg is bonded in a 6-coordinate geometry to six Hg atoms. All Hg–Hg bond lengths are 3.25 Å. Inmore » the seventh Hg site, Hg is bonded in a distorted hexagonal planar geometry to six Hg atoms. Both Hg–Hg bond lengths are 3.32 Å. In the eighth Hg site, Hg is bonded in a distorted hexagonal planar geometry to six Hg atoms. Both Hg–Hg bond lengths are 3.32 Å. In the ninth Hg site, Hg is bonded in a distorted hexagonal planar geometry to six Hg atoms. In the tenth Hg site, Hg is bonded in a distorted hexagonal planar geometry to six Hg atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1224431
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; Hg; Hg
OSTI Identifier:
1747871
DOI:
https://doi.org/10.17188/1747871

Citation Formats

The Materials Project. Materials Data on Hg by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1747871.
The Materials Project. Materials Data on Hg by Materials Project. United States. doi:https://doi.org/10.17188/1747871
The Materials Project. 2020. "Materials Data on Hg by Materials Project". United States. doi:https://doi.org/10.17188/1747871. https://www.osti.gov/servlets/purl/1747871. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1747871,
title = {Materials Data on Hg by Materials Project},
author = {The Materials Project},
abstractNote = {Hg crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional and consists of eight mercury molecules and one Hg framework. In the Hg framework, there are ten inequivalent Hg sites. In the first Hg site, Hg is bonded in a 5-coordinate geometry to five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.28–3.33 Å. In the second Hg site, Hg is bonded in a 5-coordinate geometry to five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.28–3.34 Å. In the third Hg site, Hg is bonded in a 5-coordinate geometry to five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.28–3.34 Å. In the fourth Hg site, Hg is bonded in a 6-coordinate geometry to six Hg atoms. There are two shorter (3.25 Å) and two longer (3.26 Å) Hg–Hg bond lengths. In the fifth Hg site, Hg is bonded in a 6-coordinate geometry to six Hg atoms. There are two shorter (3.25 Å) and two longer (3.26 Å) Hg–Hg bond lengths. In the sixth Hg site, Hg is bonded in a 6-coordinate geometry to six Hg atoms. All Hg–Hg bond lengths are 3.25 Å. In the seventh Hg site, Hg is bonded in a distorted hexagonal planar geometry to six Hg atoms. Both Hg–Hg bond lengths are 3.32 Å. In the eighth Hg site, Hg is bonded in a distorted hexagonal planar geometry to six Hg atoms. Both Hg–Hg bond lengths are 3.32 Å. In the ninth Hg site, Hg is bonded in a distorted hexagonal planar geometry to six Hg atoms. In the tenth Hg site, Hg is bonded in a distorted hexagonal planar geometry to six Hg atoms.},
doi = {10.17188/1747871},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}