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Title: Materials Data on HgPt2Se3 by Materials Project

Abstract

Pt2HgSe3 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Pt2HgSe3 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Pt2+ sites. In the first Pt2+ site, Pt2+ is bonded in an octahedral geometry to six equivalent Se2- atoms. All Pt–Se bond lengths are 2.57 Å. In the second Pt2+ site, Pt2+ is bonded in a square co-planar geometry to four equivalent Se2- atoms. All Pt–Se bond lengths are 2.49 Å. Hg2+ is bonded in a 6-coordinate geometry to three equivalent Se2- atoms. All Hg–Se bond lengths are 3.16 Å. Se2- is bonded in a 4-coordinate geometry to three Pt2+ and one Hg2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1102023
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; HgPt2Se3; Hg-Pt-Se
OSTI Identifier:
1698538
DOI:
https://doi.org/10.17188/1698538

Citation Formats

The Materials Project. Materials Data on HgPt2Se3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1698538.
The Materials Project. Materials Data on HgPt2Se3 by Materials Project. United States. doi:https://doi.org/10.17188/1698538
The Materials Project. 2020. "Materials Data on HgPt2Se3 by Materials Project". United States. doi:https://doi.org/10.17188/1698538. https://www.osti.gov/servlets/purl/1698538. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1698538,
title = {Materials Data on HgPt2Se3 by Materials Project},
author = {The Materials Project},
abstractNote = {Pt2HgSe3 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Pt2HgSe3 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Pt2+ sites. In the first Pt2+ site, Pt2+ is bonded in an octahedral geometry to six equivalent Se2- atoms. All Pt–Se bond lengths are 2.57 Å. In the second Pt2+ site, Pt2+ is bonded in a square co-planar geometry to four equivalent Se2- atoms. All Pt–Se bond lengths are 2.49 Å. Hg2+ is bonded in a 6-coordinate geometry to three equivalent Se2- atoms. All Hg–Se bond lengths are 3.16 Å. Se2- is bonded in a 4-coordinate geometry to three Pt2+ and one Hg2+ atom.},
doi = {10.17188/1698538},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}