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Title: 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}
}

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