U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgHg5 by Materials Project
Abstract
MgHg5 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Mg is bonded in a distorted q6 geometry to ten Hg atoms. There are a spread of Mg–Hg bond distances ranging from 3.18–3.25 Å. There are five inequivalent Hg sites. In the first Hg site, Hg is bonded in a 4-coordinate geometry to four equivalent Mg atoms. In the second Hg site, Hg is bonded in a distorted water-like geometry to two equivalent Mg and two equivalent Hg atoms. Both Hg–Hg bond lengths are 3.32 Å. In the third Hg site, Hg is bonded in a 8-coordinate geometry to eight Hg atoms. There are two shorter (3.25 Å) and four longer (3.28 Å) Hg–Hg bond lengths. In the fourth Hg site, Hg is bonded in a 8-coordinate geometry to two equivalent Mg and four equivalent Hg atoms. In the fifth Hg site, Hg is bonded in a 8-coordinate geometry to two equivalent Mg and two equivalent Hg atoms.
- Publication Date:
- Other Number(s):
- mp-972892
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Hg-Mg; MgHg5; crystal structure
- OSTI Identifier:
- 1313959
- DOI:
- https://doi.org/10.17188/1313959
Citation Formats
Materials Data on MgHg5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1313959.
Materials Data on MgHg5 by Materials Project. United States. doi:https://doi.org/10.17188/1313959
2020.
"Materials Data on MgHg5 by Materials Project". United States. doi:https://doi.org/10.17188/1313959. https://www.osti.gov/servlets/purl/1313959. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1313959,
title = {Materials Data on MgHg5 by Materials Project},
abstractNote = {MgHg5 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Mg is bonded in a distorted q6 geometry to ten Hg atoms. There are a spread of Mg–Hg bond distances ranging from 3.18–3.25 Å. There are five inequivalent Hg sites. In the first Hg site, Hg is bonded in a 4-coordinate geometry to four equivalent Mg atoms. In the second Hg site, Hg is bonded in a distorted water-like geometry to two equivalent Mg and two equivalent Hg atoms. Both Hg–Hg bond lengths are 3.32 Å. In the third Hg site, Hg is bonded in a 8-coordinate geometry to eight Hg atoms. There are two shorter (3.25 Å) and four longer (3.28 Å) Hg–Hg bond lengths. In the fourth Hg site, Hg is bonded in a 8-coordinate geometry to two equivalent Mg and four equivalent Hg atoms. In the fifth Hg site, Hg is bonded in a 8-coordinate geometry to two equivalent Mg and two equivalent Hg atoms.},
doi = {10.17188/1313959},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}