U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Hg2BrN by Materials Project
Abstract
Hg2NBr crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a linear geometry to two equivalent N3- and four Br1- atoms. Both Hg–N bond lengths are 2.11 Å. There are two shorter (3.39 Å) and two longer (3.48 Å) Hg–Br bond lengths. In the second Hg2+ site, Hg2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Hg–N bond lengths are 2.08 Å. N3- is bonded to four Hg2+ atoms to form corner-sharing NHg4 tetrahedra. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a hexagonal planar geometry to six equivalent Hg2+ atoms. In the second Br1- site, Br1- is bonded in a 6-coordinate geometry to six equivalent Hg2+ atoms.
- Publication Date:
- Other Number(s):
- mp-23354
- 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-Hg-N; Hg2BrN; crystal structure
- OSTI Identifier:
- 1199448
- DOI:
- https://doi.org/10.17188/1199448
Citation Formats
Materials Data on Hg2BrN by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199448.
Materials Data on Hg2BrN by Materials Project. United States. doi:https://doi.org/10.17188/1199448
2020.
"Materials Data on Hg2BrN by Materials Project". United States. doi:https://doi.org/10.17188/1199448. https://www.osti.gov/servlets/purl/1199448. Pub date:Fri Jul 17 04:00:00 UTC 2020
@article{osti_1199448,
title = {Materials Data on Hg2BrN by Materials Project},
abstractNote = {Hg2NBr crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a linear geometry to two equivalent N3- and four Br1- atoms. Both Hg–N bond lengths are 2.11 Å. There are two shorter (3.39 Å) and two longer (3.48 Å) Hg–Br bond lengths. In the second Hg2+ site, Hg2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Hg–N bond lengths are 2.08 Å. N3- is bonded to four Hg2+ atoms to form corner-sharing NHg4 tetrahedra. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a hexagonal planar geometry to six equivalent Hg2+ atoms. In the second Br1- site, Br1- is bonded in a 6-coordinate geometry to six equivalent Hg2+ atoms.},
doi = {10.17188/1199448},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}