Materials Data on HgP2Se by Materials Project
Abstract
HgP2Se crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hg2+ is bonded in a body-centered cubic geometry to four equivalent P and four equivalent Se2- atoms. All Hg–P bond lengths are 2.91 Å. All Hg–Se bond lengths are 2.91 Å. There are two inequivalent P sites. In the first P site, P is bonded to four equivalent Se2- atoms to form corner-sharing PSe4 tetrahedra. All P–Se bond lengths are 2.91 Å. In the second P site, P is bonded in a 4-coordinate geometry to four equivalent Hg2+ atoms. Se2- is bonded in a distorted body-centered cubic geometry to four equivalent Hg2+ and four equivalent P atoms.
- Authors:
- Contributors:
-
Researcher:
- Publication Date:
- Other Number(s):
- mp-631293
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Product Type:
- Dataset
- 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)
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; HgP2Se; Hg-P-Se
- OSTI Identifier:
- 1279047
- DOI:
- 10.17188/1279047
Citation Formats
Persson, Kristin, and Project, Materials. Materials Data on HgP2Se by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1279047.
Persson, Kristin, & Project, Materials. Materials Data on HgP2Se by Materials Project. United States. doi:10.17188/1279047.
Persson, Kristin, and Project, Materials. 2020.
"Materials Data on HgP2Se by Materials Project". United States. doi:10.17188/1279047. https://www.osti.gov/servlets/purl/1279047. Pub date:Tue Jul 21 00:00:00 EDT 2020
@article{osti_1279047,
title = {Materials Data on HgP2Se by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {HgP2Se crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hg2+ is bonded in a body-centered cubic geometry to four equivalent P and four equivalent Se2- atoms. All Hg–P bond lengths are 2.91 Å. All Hg–Se bond lengths are 2.91 Å. There are two inequivalent P sites. In the first P site, P is bonded to four equivalent Se2- atoms to form corner-sharing PSe4 tetrahedra. All P–Se bond lengths are 2.91 Å. In the second P site, P is bonded in a 4-coordinate geometry to four equivalent Hg2+ atoms. Se2- is bonded in a distorted body-centered cubic geometry to four equivalent Hg2+ and four equivalent P atoms.},
doi = {10.17188/1279047},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.