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Title: Materials Data on ThSi3Os by Materials Project

Abstract

ThOsSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Th4+ is bonded to twelve Si4- atoms to form a mixture of distorted corner, edge, and face-sharing ThSi12 cuboctahedra. There are a spread of Th–Si bond distances ranging from 3.11–3.42 Å. Os8+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are one shorter (2.37 Å) and four longer (2.39 Å) Os–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a distorted single-bond geometry to four equivalent Th4+, one Os8+, and four equivalent Si4- atoms. All Si–Si bond lengths are 2.63 Å. In the second Si4- site, Si4- is bonded in a distorted bent 120 degrees geometry to four equivalent Th4+, two equivalent Os8+, and two equivalent Si4- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1070572
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; ThSi3Os; Os-Si-Th
OSTI Identifier:
1682209
DOI:
https://doi.org/10.17188/1682209

Citation Formats

The Materials Project. Materials Data on ThSi3Os by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1682209.
The Materials Project. Materials Data on ThSi3Os by Materials Project. United States. doi:https://doi.org/10.17188/1682209
The Materials Project. 2020. "Materials Data on ThSi3Os by Materials Project". United States. doi:https://doi.org/10.17188/1682209. https://www.osti.gov/servlets/purl/1682209. Pub date:Sun Apr 26 00:00:00 EDT 2020
@article{osti_1682209,
title = {Materials Data on ThSi3Os by Materials Project},
author = {The Materials Project},
abstractNote = {ThOsSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Th4+ is bonded to twelve Si4- atoms to form a mixture of distorted corner, edge, and face-sharing ThSi12 cuboctahedra. There are a spread of Th–Si bond distances ranging from 3.11–3.42 Å. Os8+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are one shorter (2.37 Å) and four longer (2.39 Å) Os–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a distorted single-bond geometry to four equivalent Th4+, one Os8+, and four equivalent Si4- atoms. All Si–Si bond lengths are 2.63 Å. In the second Si4- site, Si4- is bonded in a distorted bent 120 degrees geometry to four equivalent Th4+, two equivalent Os8+, and two equivalent Si4- atoms.},
doi = {10.17188/1682209},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}