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Title: Materials Data on TaPbSe2 by Materials Project

Abstract

PbTaSe2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ta is bonded to six equivalent Se atoms to form distorted edge-sharing TaSe6 pentagonal pyramids. All Ta–Se bond lengths are 2.61 Å. Pb is bonded in a distorted linear geometry to two equivalent Se atoms. Both Pb–Se bond lengths are 3.08 Å. Se is bonded in a 4-coordinate geometry to three equivalent Ta and one Pb atom.

Publication Date:
Other Number(s):
mp-567736
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; TaPbSe2; Pb-Se-Ta
OSTI Identifier:
1274020
DOI:
https://doi.org/10.17188/1274020

Citation Formats

The Materials Project. Materials Data on TaPbSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274020.
The Materials Project. Materials Data on TaPbSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1274020
The Materials Project. 2020. "Materials Data on TaPbSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1274020. https://www.osti.gov/servlets/purl/1274020. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1274020,
title = {Materials Data on TaPbSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {PbTaSe2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ta is bonded to six equivalent Se atoms to form distorted edge-sharing TaSe6 pentagonal pyramids. All Ta–Se bond lengths are 2.61 Å. Pb is bonded in a distorted linear geometry to two equivalent Se atoms. Both Pb–Se bond lengths are 3.08 Å. Se is bonded in a 4-coordinate geometry to three equivalent Ta and one Pb atom.},
doi = {10.17188/1274020},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}