U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on HgNCl by Materials Project
Abstract
HgNCl crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four HgNCl ribbons oriented in the (1, 0, 0) direction. In two of the HgNCl ribbons, Hg2+ is bonded in a linear geometry to two equivalent N1- atoms. Both Hg–N bond lengths are 2.12 Å. N1- is bonded in a trigonal non-coplanar geometry to two equivalent Hg2+ and one Cl1- atom. The N–Cl bond length is 1.78 Å. Cl1- is bonded in a distorted single-bond geometry to one N1- atom. In two of the HgNCl ribbons, Hg2+ is bonded in a linear geometry to two equivalent N1- atoms. Both Hg–N bond lengths are 2.11 Å. N1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Hg2+ and one Cl1- atom. The N–Cl bond length is 1.79 Å. Cl1- is bonded in a distorted single-bond geometry to one N1- atom.
- Publication Date:
- Other Number(s):
- mp-1190779
- 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; Cl-Hg-N; crystal structure; HgNCl
- OSTI Identifier:
- 1752871
- DOI:
- https://doi.org/10.17188/1752871
Citation Formats
Materials Data on HgNCl by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1752871.
Materials Data on HgNCl by Materials Project. United States. doi:https://doi.org/10.17188/1752871
2019.
"Materials Data on HgNCl by Materials Project". United States. doi:https://doi.org/10.17188/1752871. https://www.osti.gov/servlets/purl/1752871. Pub date:Wed Sep 04 20:00:00 EDT 2019
@article{osti_1752871,
title = {Materials Data on HgNCl by Materials Project},
abstractNote = {HgNCl crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four HgNCl ribbons oriented in the (1, 0, 0) direction. In two of the HgNCl ribbons, Hg2+ is bonded in a linear geometry to two equivalent N1- atoms. Both Hg–N bond lengths are 2.12 Å. N1- is bonded in a trigonal non-coplanar geometry to two equivalent Hg2+ and one Cl1- atom. The N–Cl bond length is 1.78 Å. Cl1- is bonded in a distorted single-bond geometry to one N1- atom. In two of the HgNCl ribbons, Hg2+ is bonded in a linear geometry to two equivalent N1- atoms. Both Hg–N bond lengths are 2.11 Å. N1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Hg2+ and one Cl1- atom. The N–Cl bond length is 1.79 Å. Cl1- is bonded in a distorted single-bond geometry to one N1- atom.},
doi = {10.17188/1752871},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {9}
}