U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on HgH8C2Br3N by Materials Project
Abstract
HgBr3CH3CH3NH2 crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of two methane molecules; two methylammonium molecules; and one HgBr3 ribbon oriented in the (0, 1, 0) direction. In the HgBr3 ribbon, Hg2+ is bonded to five Br1- atoms to form a mixture of distorted edge and corner-sharing HgBr5 trigonal bipyramids. There are a spread of Hg–Br bond distances ranging from 2.54–3.28 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Hg2+ atom. In the second Br1- site, Br1- is bonded in a distorted T-shaped geometry to three equivalent Hg2+ atoms. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Hg2+ atom.
- Publication Date:
- Other Number(s):
- mp-569827
- 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; Br-C-H-Hg-N; crystal structure; HgH8C2Br3N
- OSTI Identifier:
- 1272976
- DOI:
- https://doi.org/10.17188/1272976
Citation Formats
Materials Data on HgH8C2Br3N by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1272976.
Materials Data on HgH8C2Br3N by Materials Project. United States. doi:https://doi.org/10.17188/1272976
2020.
"Materials Data on HgH8C2Br3N by Materials Project". United States. doi:https://doi.org/10.17188/1272976. https://www.osti.gov/servlets/purl/1272976. Pub date:Wed Jul 22 20:00:00 EDT 2020
@article{osti_1272976,
title = {Materials Data on HgH8C2Br3N by Materials Project},
abstractNote = {HgBr3CH3CH3NH2 crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of two methane molecules; two methylammonium molecules; and one HgBr3 ribbon oriented in the (0, 1, 0) direction. In the HgBr3 ribbon, Hg2+ is bonded to five Br1- atoms to form a mixture of distorted edge and corner-sharing HgBr5 trigonal bipyramids. There are a spread of Hg–Br bond distances ranging from 2.54–3.28 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Hg2+ atom. In the second Br1- site, Br1- is bonded in a distorted T-shaped geometry to three equivalent Hg2+ atoms. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Hg2+ atom.},
doi = {10.17188/1272976},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}