U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Hg2P3Cl by Materials Project
Abstract
Hg2P3Cl is Hausmannite-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Hg1+ is bonded in a 6-coordinate geometry to three P+0.33- and three equivalent Cl1- atoms. There are a spread of Hg–P bond distances ranging from 2.50–2.97 Å. There are a spread of Hg–Cl bond distances ranging from 3.05–3.52 Å. There are two inequivalent P+0.33- sites. In the first P+0.33- site, P+0.33- is bonded to two equivalent Hg1+ and two P+0.33- atoms to form distorted corner-sharing PHg2P2 tetrahedra. There are one shorter (2.21 Å) and one longer (2.22 Å) P–P bond lengths. In the second P+0.33- site, P+0.33- is bonded to two equivalent Hg1+ and two equivalent P+0.33- atoms to form corner-sharing PHg2P2 tetrahedra. Cl1- is bonded in a 6-coordinate geometry to six equivalent Hg1+ atoms.
- Publication Date:
- Other Number(s):
- mp-28875
- 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-P; Hg2P3Cl; crystal structure
- OSTI Identifier:
- 1202955
- DOI:
- https://doi.org/10.17188/1202955
Citation Formats
Materials Data on Hg2P3Cl by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1202955.
Materials Data on Hg2P3Cl by Materials Project. United States. doi:https://doi.org/10.17188/1202955
2020.
"Materials Data on Hg2P3Cl by Materials Project". United States. doi:https://doi.org/10.17188/1202955. https://www.osti.gov/servlets/purl/1202955. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1202955,
title = {Materials Data on Hg2P3Cl by Materials Project},
abstractNote = {Hg2P3Cl is Hausmannite-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Hg1+ is bonded in a 6-coordinate geometry to three P+0.33- and three equivalent Cl1- atoms. There are a spread of Hg–P bond distances ranging from 2.50–2.97 Å. There are a spread of Hg–Cl bond distances ranging from 3.05–3.52 Å. There are two inequivalent P+0.33- sites. In the first P+0.33- site, P+0.33- is bonded to two equivalent Hg1+ and two P+0.33- atoms to form distorted corner-sharing PHg2P2 tetrahedra. There are one shorter (2.21 Å) and one longer (2.22 Å) P–P bond lengths. In the second P+0.33- site, P+0.33- is bonded to two equivalent Hg1+ and two equivalent P+0.33- atoms to form corner-sharing PHg2P2 tetrahedra. Cl1- is bonded in a 6-coordinate geometry to six equivalent Hg1+ atoms.},
doi = {10.17188/1202955},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}