Materials Data on HgI2 by Materials Project
Abstract
HgI2 crystallizes in the tetragonal I4_1/amd space group. The structure is two-dimensional and consists of four HgI2 sheets oriented in the (0, 0, 1) direction. Hg2+ is bonded to four I1- atoms to form corner-sharing HgI4 tetrahedra. There are a spread of Hg–I bond distances ranging from 2.86–2.89 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a water-like geometry to two equivalent Hg2+ atoms. In the second I1- site, I1- is bonded in a water-like geometry to two equivalent Hg2+ atoms. In the third I1- site, I1- is bonded in a water-like geometry to two equivalent Hg2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-567471
- 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; HgI2; Hg-I
- OSTI Identifier:
- 1273888
- DOI:
- https://doi.org/10.17188/1273888
Citation Formats
The Materials Project. Materials Data on HgI2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1273888.
The Materials Project. Materials Data on HgI2 by Materials Project. United States. doi:https://doi.org/10.17188/1273888
The Materials Project. 2020.
"Materials Data on HgI2 by Materials Project". United States. doi:https://doi.org/10.17188/1273888. https://www.osti.gov/servlets/purl/1273888. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1273888,
title = {Materials Data on HgI2 by Materials Project},
author = {The Materials Project},
abstractNote = {HgI2 crystallizes in the tetragonal I4_1/amd space group. The structure is two-dimensional and consists of four HgI2 sheets oriented in the (0, 0, 1) direction. Hg2+ is bonded to four I1- atoms to form corner-sharing HgI4 tetrahedra. There are a spread of Hg–I bond distances ranging from 2.86–2.89 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a water-like geometry to two equivalent Hg2+ atoms. In the second I1- site, I1- is bonded in a water-like geometry to two equivalent Hg2+ atoms. In the third I1- site, I1- is bonded in a water-like geometry to two equivalent Hg2+ atoms.},
doi = {10.17188/1273888},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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