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Title: Materials Data on ThAsS by Materials Project

Abstract

ThAsS 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 S2- atoms. All Th–As bond lengths are 3.10 Å. There are four shorter (2.93 Å) and one longer (2.95 Å) Th–S 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 2.85 Å. S2- is bonded to five equivalent Th4+ atoms to form a mixture of distorted edge and corner-sharing STh5 trigonal bipyramids.

Publication Date:
Other Number(s):
mp-1019358
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; ThAsS; As-S-Th
OSTI Identifier:
1350900
DOI:
10.17188/1350900

Citation Formats

The Materials Project. Materials Data on ThAsS by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1350900.
The Materials Project. Materials Data on ThAsS by Materials Project. United States. doi:10.17188/1350900.
The Materials Project. 2020. "Materials Data on ThAsS by Materials Project". United States. doi:10.17188/1350900. https://www.osti.gov/servlets/purl/1350900. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1350900,
title = {Materials Data on ThAsS by Materials Project},
author = {The Materials Project},
abstractNote = {ThAsS 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 S2- atoms. All Th–As bond lengths are 3.10 Å. There are four shorter (2.93 Å) and one longer (2.95 Å) Th–S 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 2.85 Å. S2- is bonded to five equivalent Th4+ atoms to form a mixture of distorted edge and corner-sharing STh5 trigonal bipyramids.},
doi = {10.17188/1350900},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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