Title: Materials Data on ThAsSe by Materials Project

Abstract

ThAsSe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Th4+ is bonded in a 9-coordinate geometry to four equivalent As2- and five equivalent Se2- atoms. All Th–As bond lengths are 3.07 Å. There are four shorter (3.06 Å) and one longer (3.13 Å) Th–Se bond lengths. As2- is bonded in a 8-coordinate geometry to four equivalent Th4+ and four equivalent As2- atoms. All As–As bond lengths are 2.93 Å. Se2- is bonded in a 5-coordinate geometry to five equivalent Th4+ atoms.

Publication Date:
Other Number(s):
mp-1019357
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; As-Se-Th; crystal structure; ThAsSe
OSTI Identifier:
1350833
DOI:
https://doi.org/10.17188/1350833

Citation Formats

Materials Data on ThAsSe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1350833.
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Materials Data on ThAsSe by Materials Project. United States. doi:https://doi.org/10.17188/1350833
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2020. "Materials Data on ThAsSe by Materials Project". United States. doi:https://doi.org/10.17188/1350833. https://www.osti.gov/servlets/purl/1350833. Pub date:Wed Jul 15 20:00:00 EDT 2020
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@article{osti_1350833,
title = {Materials Data on ThAsSe by Materials Project},
abstractNote = {ThAsSe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Th4+ is bonded in a 9-coordinate geometry to four equivalent As2- and five equivalent Se2- atoms. All Th–As bond lengths are 3.07 Å. There are four shorter (3.06 Å) and one longer (3.13 Å) Th–Se bond lengths. As2- is bonded in a 8-coordinate geometry to four equivalent Th4+ and four equivalent As2- atoms. All As–As bond lengths are 2.93 Å. Se2- is bonded in a 5-coordinate geometry to five equivalent Th4+ atoms.},
doi = {10.17188/1350833},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1350833
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