Title: Materials Data on Th5Pb4 by Materials Project

Abstract

Th5Pb4 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Th–Pb bond lengths are 3.50 Å. In the second Th site, Th is bonded to seven Pb atoms to form a mixture of distorted corner, edge, and face-sharing ThPb7 pentagonal bipyramids. There are a spread of Th–Pb bond distances ranging from 3.25–3.45 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded to six equivalent Th atoms to form distorted face-sharing PbTh6 octahedra. In the second Pb site, Pb is bonded in a 9-coordinate geometry to nine Th atoms.

Publication Date:
Other Number(s):
mp-1106365
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; crystal structure; Pb-Th; Th5Pb4
OSTI Identifier:
1744206
DOI:
https://doi.org/10.17188/1744206

Citation Formats

Materials Data on Th5Pb4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744206.
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Materials Data on Th5Pb4 by Materials Project. United States. doi:https://doi.org/10.17188/1744206
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2020. "Materials Data on Th5Pb4 by Materials Project". United States. doi:https://doi.org/10.17188/1744206. https://www.osti.gov/servlets/purl/1744206. Pub date:Sat May 02 20:00:00 EDT 2020
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@article{osti_1744206,
title = {Materials Data on Th5Pb4 by Materials Project},
abstractNote = {Th5Pb4 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Th–Pb bond lengths are 3.50 Å. In the second Th site, Th is bonded to seven Pb atoms to form a mixture of distorted corner, edge, and face-sharing ThPb7 pentagonal bipyramids. There are a spread of Th–Pb bond distances ranging from 3.25–3.45 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded to six equivalent Th atoms to form distorted face-sharing PbTh6 octahedra. In the second Pb site, Pb is bonded in a 9-coordinate geometry to nine Th atoms.},
doi = {10.17188/1744206},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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DOI: https://doi.org/10.17188/1744206
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