skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on TaTcPb2 by Materials Project

Abstract

TaTcPb2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Ta is bonded in a distorted body-centered cubic geometry to four equivalent Tc and ten Pb atoms. There are a spread of Ta–Tc bond distances ranging from 2.99–3.04 Å. There are a spread of Ta–Pb bond distances ranging from 3.02–3.50 Å. Tc is bonded in a distorted body-centered cubic geometry to four equivalent Ta and four equivalent Pb atoms. There are one shorter (3.01 Å) and three longer (3.02 Å) Tc–Pb bond lengths. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded to six equivalent Ta, four equivalent Tc, and four equivalent Pb atoms to form a mixture of distorted face and corner-sharing PbTa6Tc4Pb4 tetrahedra. All Pb–Pb bond lengths are 3.02 Å. In the second Pb site, Pb is bonded to four equivalent Ta and four equivalent Pb atoms to form distorted PbTa4Pb4 tetrahedra that share corners with twelve equivalent PbTa6Tc4Pb4 tetrahedra, edges with twelve equivalent PbTa4Pb4 tetrahedra, and faces with four equivalent PbTa6Tc4Pb4 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-632176
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; TaTcPb2; Pb-Ta-Tc
OSTI Identifier:
1279295
DOI:
10.17188/1279295

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on TaTcPb2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279295.
Persson, Kristin, & Project, Materials. Materials Data on TaTcPb2 by Materials Project. United States. doi:10.17188/1279295.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on TaTcPb2 by Materials Project". United States. doi:10.17188/1279295. https://www.osti.gov/servlets/purl/1279295. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1279295,
title = {Materials Data on TaTcPb2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {TaTcPb2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Ta is bonded in a distorted body-centered cubic geometry to four equivalent Tc and ten Pb atoms. There are a spread of Ta–Tc bond distances ranging from 2.99–3.04 Å. There are a spread of Ta–Pb bond distances ranging from 3.02–3.50 Å. Tc is bonded in a distorted body-centered cubic geometry to four equivalent Ta and four equivalent Pb atoms. There are one shorter (3.01 Å) and three longer (3.02 Å) Tc–Pb bond lengths. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded to six equivalent Ta, four equivalent Tc, and four equivalent Pb atoms to form a mixture of distorted face and corner-sharing PbTa6Tc4Pb4 tetrahedra. All Pb–Pb bond lengths are 3.02 Å. In the second Pb site, Pb is bonded to four equivalent Ta and four equivalent Pb atoms to form distorted PbTa4Pb4 tetrahedra that share corners with twelve equivalent PbTa6Tc4Pb4 tetrahedra, edges with twelve equivalent PbTa4Pb4 tetrahedra, and faces with four equivalent PbTa6Tc4Pb4 tetrahedra.},
doi = {10.17188/1279295},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: