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Title: Materials Data on ThRe2 by Materials Project

Abstract

Re2Th is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to twelve Re atoms. There are a spread of Th–Re bond distances ranging from 3.18–3.31 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded to six equivalent Th and six equivalent Re atoms to form a mixture of edge, corner, and face-sharing ReTh6Re6 cuboctahedra. All Re–Re bond lengths are 2.84 Å. In the second Re site, Re is bonded to six equivalent Th and six Re atoms to form a mixture of edge, corner, and face-sharing ReTh6Re6 cuboctahedra. There are two shorter (2.66 Å) and two longer (2.75 Å) Re–Re bond lengths.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-1659
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; ThRe2; Re-Th
OSTI Identifier:
1182267
DOI:
10.17188/1182267

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on ThRe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1182267.
Persson, Kristin, & Project, Materials. Materials Data on ThRe2 by Materials Project. United States. doi:10.17188/1182267.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on ThRe2 by Materials Project". United States. doi:10.17188/1182267. https://www.osti.gov/servlets/purl/1182267. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1182267,
title = {Materials Data on ThRe2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Re2Th is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to twelve Re atoms. There are a spread of Th–Re bond distances ranging from 3.18–3.31 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded to six equivalent Th and six equivalent Re atoms to form a mixture of edge, corner, and face-sharing ReTh6Re6 cuboctahedra. All Re–Re bond lengths are 2.84 Å. In the second Re site, Re is bonded to six equivalent Th and six Re atoms to form a mixture of edge, corner, and face-sharing ReTh6Re6 cuboctahedra. There are two shorter (2.66 Å) and two longer (2.75 Å) Re–Re bond lengths.},
doi = {10.17188/1182267},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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